SCHEMBL7810045

SCHEMBL7810045

O=C1N[C@H](Cc2ccc3[nH]ccc3c2)CO1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTR1D P28221 8/20 0.54
▸ HTR1B P28222 8/20 0.54
▸ HTR1A P08908 4/20 0.53
▸ HTR2A P28223 3/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ ADRA1A P35348 1/20 0.53
▸ HTR1F P30939 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ AIMP2 Q13155 1/20 0.41
▸ KDM1A O60341 1/20 0.38
▸ MAOA P21397 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ MCHR1 Q99705 1/20 0.36
▸ SCN9A Q15858 1/20 0.36
▸ HCRTR1 O43613 1/20 0.36
▸ HCRTR2 O43614 1/20 0.36

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
SCHEMBL7810050 1.00 HTR1D (0.54) HTR1DHTR1BHTR1AHTR2AKMT2A
SCHEMBL7813934 1.00 HTR1D (0.54) HTR1DHTR1BHTR1AHTR2AKMT2A
SCHEMBL28024995 0.75 KDM1A (0.44) KDM4EMAPTAIMP2KDM1AMAOA
SCHEMBL5658880 0.74 HTR1D (0.52) HTR1DHTR1BHTR1AHTR2AKMT2A
SCHEMBL8028959 0.73 HTR1D (0.51) HTR1DHTR1BHTR1AHTR2AKMT2A
SCHEMBL3647546 0.72 CACNA1C (0.50) HTR1DHTR1BHTR1AHTR2AKMT2A
SCHEMBL531572 0.72 HTR1D (0.48) HTR1DHTR1BHTR1AHTR2AKMT2A
SCHEMBL3647544 0.72 CACNA1C (0.50) HTR1DHTR1BHTR1AHTR2AKMT2A
SCHEMBL15947200 0.72 HTR1D (0.48) HTR1DHTR1BHTR1AHTR2AKMT2A
SCHEMBL15304333 0.72 HTR1D (0.48) HTR1DHTR1BHTR1AHTR2AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0636623-B1 Indole derivatives as 5-HT1- like agonists ASTRAZENECA AB (SE) 2001-08-16 — — EP disclosed
US-5863935-A SYNTHESIS OF INDOLE DERIVATIVES OF HETEROCYCLIC COMPOUNDS FOR TREATMENT OF HEADACHES AND MIGRAINES ZENECA LIMITED (GB) 1999-01-26 — — US disclosed
US-5466699-A Indolyl compounds for treating migraine BURROUGHS WELLCOME CO. (US) 1995-11-14 — — US disclosed
US-5399574-A 5-hydroxytryptamine agonists; vasoconstrictors BURROUGHS WELLCOME CO. (US) 1995-03-21 — — US disclosed
EP-0636623-A1 Indole derivatives as 5-HT1- like agonists THE WELLCOME FOUNDATION LIMITED (GB) 1995-02-01 — — EP disclosed
EP-0486666-A1 THERAPEUTIC HETEROCYCLIC COMPOUNDS. WELLCOME FOUND (GB) 1992-05-27 — — EP disclosed
WO-1991018897-A1 THERAPEUTIC HETEROCYCLIC COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1991-12-12 — — WO disclosed
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