SCHEMBL9603353

SCHEMBL9603353

NC(CCCCN1C(=O)C2C3C=CC(C4C=CC43)C2C1=O)Cc1c[nH]c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 2/20 0.48
▸ ADRB1 P08588 1/20 0.44
▸ HTR1A P08908 1/20 0.44
▸ ADRA2A P08913 1/20 0.44
▸ SLC6A2 P23975 1/20 0.44
▸ HTR1D P28221 1/20 0.44
▸ HTR1B P28222 1/20 0.44
▸ HTR2C P28335 1/20 0.44
▸ HTR1E P28566 1/20 0.44
▸ SLC6A4 P31645 1/20 0.44
▸ HTR7 P34969 1/20 0.44
▸ HTR2B P41595 1/20 0.44
▸ HTR6 P50406 1/20 0.44
▸ SLC6A3 Q01959 1/20 0.44
▸ MAPT P10636 6/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ LMNA P02545 1/20 0.44

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
SCHEMBL9596806 0.83 MAPT (0.51) HTR2AADRB1HTR1AADRA2ASLC6A2
SCHEMBL9515163 0.82 STAT3 (0.40) HTR1AMAPTTDP1ALDH1A1POLB
SCHEMBL9596924 0.81 MAPT (0.67) HTR2AADRB1HTR1AADRA2ASLC6A2
Oxalic Acid SCHEMBL9613886 0.79 MAPT (0.61) HTR2AMAPTTDP1KMT2AMEN1
SCHEMBL9513786 0.75 NPC1 (0.48) HTR1AKMT2AMEN1ALDH1A1HPGD
SCHEMBL9514704 0.75 NPC1 (0.47) HTR1AKMT2AMEN1ALDH1A1HPGD
SCHEMBL19134154 0.72 HTR2A (0.68) HTR2AADRB1HTR1AADRA2ASLC6A2
SCHEMBL19134209 0.72 HTR2A (0.68) HTR2AADRB1HTR1AADRA2ASLC6A2
SCHEMBL7863739 0.72 HTR2A (0.68) HTR2AADRB1HTR1AADRA2ASLC6A2
SCHEMBL9517218 0.72 HTR1A (0.42) HTR2AHTR1AHTR2CSLC6A4HTR7

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5250538-A Treating CNS disorders; antiserotinin agents NOVO NORDISK A/S (DK) 1993-10-05 — — US disclosed
EP-0515462-A1 INDOLE DERIVATIVES, THEIR PREPARATION AND USE. NOVO NORDISK AS (DK) 1992-12-02 — — EP disclosed
US-5126363-A Central nervous system disorders NOVO NORDISK A/S (DK) 1992-06-30 — — US disclosed
WO-1991012252-A1 INDOLE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1991-08-22 — — WO disclosed
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