Rauwolscine

Rauwolscine

SCHEMBL8366111

COC(=O)C1C(O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 9/20 1.00
▸ ADRA1A P35348 8/20 1.00
▸ CYP2D6 P10635 7/20 1.00
▸ ADRA2C P18825 6/20 1.00
▸ ADRA2B P18089 5/20 1.00
▸ ADRA1B P35368 4/20 1.00
▸ MEN1 O00255 3/20 1.00
▸ KMT2A Q03164 3/20 1.00
▸ CYP3A4 P08684 3/20 1.00
▸ ADRA1D P25100 3/20 1.00
▸ PMP22 Q01453 3/20 1.00
▸ HSD17B10 Q99714 3/20 1.00
▸ KDM4E B2RXH2 2/20 1.00
▸ LMNA P02545 2/20 1.00
▸ CYP1A2 P05177 2/20 1.00
▸ TSHR P16473 2/20 1.00
▸ HTR1A P08908 2/20 1.00
▸ THRB P10828 2/20 1.00
▸ HPGD P15428 2/20 1.00
▸ HTR1B P28222 2/20 1.00

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Rauwolscine SCHEMBL12648480 1.00 ADRA2A (1.00) ADRA2AADRA1ACYP2D6ADRA2CADRA2B
Rauwolscine SCHEMBL4548294 1.00 ADRA2A (1.00) ADRA2AADRA1ACYP2D6ADRA2CADRA2B
Rauwolscine SCHEMBL7945869 1.00 ADRA2A (1.00) ADRA2AADRA1ACYP2D6ADRA2CADRA2B
Rauwolscine SCHEMBL25366080 1.00 ADRA2A (1.00) ADRA2AADRA1ACYP2D6ADRA2CADRA2B
Rauwolscine SCHEMBL6700479 1.00 ADRA2A (1.00) ADRA2AADRA1ACYP2D6ADRA2CADRA2B
Rauwolscine SCHEMBL23244673 1.00 ADRA2A (1.00) ADRA2AADRA1ACYP2D6ADRA2CADRA2B
Rauwolscine SCHEMBL564021 1.00 ADRA2A (1.00) ADRA2AADRA1ACYP2D6ADRA2CADRA2B
Rauwolscine SCHEMBL18541713 1.00 ADRA2A (1.00) ADRA2AADRA1ACYP2D6ADRA2CADRA2B
Rauwolscine SCHEMBL22703462 1.00 ADRA2A (1.00) ADRA2AADRA1ACYP2D6ADRA2CADRA2B
Rauwolscine SCHEMBL244514 1.00 ADRA2A (1.00) ADRA2AADRA1ACYP2D6ADRA2CADRA2B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3220942-A1 METHODS AND COMPOSITIONS COMPRISING DESMOPRESSIN IN COMBINATION WITH AN ALPHA-ADRENERGIC RECEPTOR ANTAGONIST Serenity Pharmaceuticals LLC (US) 2017-09-27 — — EP disclosed
WO-2016081772-A1 METHODS AND COMPOSITIONS COMPRISING DESMOPRESSIN IN COMBINATION WITH AN ALPHA-ADRENERGIC RECEPTOR ANTAGONIST ALLERGAN, INC. (US) 2016-05-26 — — WO disclosed
EP-0710479-B1 Use of a serotonin agonist in combination with a tachykinin receptor antagonist for the manufacture of a medicament for the treatment or prevention of migraine LILLY CO ELI (US) 1999-01-07 — — EP disclosed
US-5744482-A Serotonin agonist in combination with a tachykinin receptor antagonist in the treatment or prevention of migraine ELI LILLY AND COMPANY (US) 1998-04-28 — — US disclosed
US-5698444-A ISOLATED AMINO ACID COMPOUND ELI LILLY AND COMPANY (US) 1997-12-16 — — US disclosed
WO-1996041633-A1 METHODS OF TREATING COLD AND ALLERGIC RHINITIS ELI LILLY AND COMPANY (US) 1996-12-27 — — WO disclosed
EP-0747049-A1 Use of tachykinin antagonists in combination with serotonin agonists or serotonin reuptake inhibitors for the manufacture of a medicament for the treatment of allergic rhinitis ELI LILLY AND COMPANY (US) 1996-12-11 — — EP disclosed
WO-1996029074-A1 METHODS OF TREATING OR PREVENTING PAIN OR NOCICEPTION ELI LILLY AND COMPANY (US) 1996-09-26 — — WO disclosed
WO-1996024353-A1 METHODS OF TREATING OR PREVENTING PSYCHIATRIC DISORDERS ELI LILLY AND COMPANY (US) 1996-08-15 — — WO disclosed
EP-0710479-A1 Use of a serotonin agonist in combination with a tachykinin receptor antagonist for the manufacture of a medicament for the treatment or prevention of migraine ELI LILLY AND COMPANY (US) 1996-05-08 — — EP disclosed
WO-1996011000-A1 METHODS OF TREATING MIGRAINE ELI LILLY AND COMPANY (US) 1996-04-18 — — WO disclosed
US-4532135-A Treating renal damage by administering vasodilator having postsynaptic alpha-adrenoceptor blocking activity and antihyperlipidemic characteristics EDWARDS K DAVID G 1985-07-30 — — US disclosed
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