SCHEMBL8914088

SCHEMBL8914088

CN1CCC[C@@H]1Cc1c[nH]c2ccc(C=CC(C)(C)O)cc12

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 7/20 0.66
HTR1D P28221 5/20 0.66
HTR1A P08908 2/20 0.60
HTR6 P50406 7/20 0.57
NOS3 P29474 4/20 0.52
NOS1 P29475 4/20 0.52

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
SCHEMBL8914084 1.00 HTR1B (0.66) HTR1BHTR1DHTR1AHTR6NOS3
SCHEMBL8914996 0.90 HTR1B (0.61) HTR1BHTR1DHTR1AHTR6NOS3
SCHEMBL8915007 0.90 HTR1B (0.61) HTR1BHTR1DHTR1AHTR6NOS3
SCHEMBL8914998 0.90 HTR1B (0.61) HTR1BHTR1DHTR1AHTR6NOS3
SCHEMBL8914034 0.90 HTR1B (0.61) HTR1BHTR1DHTR1AHTR6NOS3
SCHEMBL8914038 0.90 HTR1B (0.61) HTR1BHTR1DHTR1AHTR6NOS3
SCHEMBL8915497 0.89 HTR1B (0.52) HTR1BHTR1DHTR1AHTR6NOS3
SCHEMBL8913736 0.88 HTR1B (0.63) HTR1BHTR1DHTR1AHTR6NOS3
SCHEMBL8913731 0.88 HTR1B (0.63) HTR1BHTR1DHTR1AHTR6NOS3
SCHEMBL9034686 0.88 GABRP (0.51) HTR1BHTR1DHTR1AHTR6NOS3

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-5607960-A Indole derivatives as 5-HT1-like agonists for use in migraine PFIZER INC. (US) 1997-03-04 US disclosed
EP-0695301-B1 INDOLE DERIVATIVES AS 5-HT1-LIKE AGONISTS FOR USE IN MIGRAINE PFIZER LTD (GB) 1996-10-30 EP disclosed
EP-0695301-A1 INDOLE DERIVATIVES AS 5-H1-LIKE AGONISTS FOR USE IN MIGRAINE PFIZER LTD (GB) 1996-02-07 EP disclosed
WO-1994024127-A1 INDOLE DERIVATIVES AS 5-H1-LIKE AGONISTS FOR USE IN MIGRAINE PFIZER LIMITED (GB) 1994-10-27 WO disclosed