SCHEMBL8546331

SCHEMBL8546331

CC(C)(O)CCc1ccc2[nH]cc(C[C@H]3CCCN3)c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 18/20 0.55
GABRP O00591 1/20 0.48
GABRD O14764 1/20 0.48
GABRA1 P14867 1/20 0.48
GABRB1 P18505 1/20 0.48
GABRG2 P18507 1/20 0.48
GABRB3 P28472 1/20 0.48
GABRA5 P31644 1/20 0.48
GABRA3 P34903 1/20 0.48
GABRA2 P47869 1/20 0.48
GABRB2 P47870 1/20 0.48
GABRA4 P48169 1/20 0.48
GABRE P78334 1/20 0.48
GABRA6 Q16445 1/20 0.48
GABRG1 Q8N1C3 1/20 0.48
GABRG3 Q99928 1/20 0.48
GABRQ Q9UN88 1/20 0.48
HTR1A P08908 1/20 0.48
HTR1B P28222 1/20 0.48
HTR2C P28335 1/20 0.48

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
SCHEMBL8914713 0.92 HTR6 (0.53) HTR6GABRPGABRDGABRA1GABRB1
SCHEMBL8913856 0.90 HTR6 (0.51) HTR6GABRPGABRDGABRA1GABRB1
SCHEMBL8915298 0.90 HTR6 (0.51) HTR6GABRPGABRDGABRA1GABRB1
SCHEMBL8915205 0.89 HTR6 (0.53) HTR6GABRPGABRDGABRA1GABRB1
SCHEMBL8699581 0.83 HTR6 (0.64) HTR6GABRPGABRDGABRA1GABRB1
SCHEMBL8699573 0.83 HTR6 (0.64) HTR6GABRPGABRDGABRA1GABRB1
SCHEMBL8921472 0.83 HTR6 (0.55) HTR6GABRPGABRDGABRA1GABRB1
SCHEMBL8915443 0.83 HTR6 (0.55) HTR6HTR1AHTR1BHTR2CHTR1F
SCHEMBL19148087 0.80 HTR6 (0.64) HTR6GABRPGABRDGABRA1GABRB1
SCHEMBL8789712 0.80 HTR6 (0.56) HTR6HTR1AHTR1BHTR2CHTR1F

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5770611-A Indole derivatives as 5HT1 -like agonists PFIZER INC. (US) 1998-06-23 US disclosed
EP-0785933-B1 INDOLE DERIVATIVES AS 5HT1-LIKE AGONISTS PFIZER LTD (GB) 1998-03-11 EP disclosed
EP-0785933-A1 INDOLE DERIVATIVES AS 5HT1-LIKE AGONISTS Pfizer Limited (GB) 1997-07-30 EP disclosed
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
CN-1121348-A Indole derivatives as 5-H1-like agonists for use in migraine PFIZER RES & DEV (IE) 1996-04-24 CN disclosed
WO-1996011195-A1 INDOLE DERIVATIVES AS 5HT1-LIKE AGONISTS PFIZER LIMITED (GB) 1996-04-18 WO disclosed
WO-1994024127-A1 INDOLE DERIVATIVES AS 5-H1-LIKE AGONISTS FOR USE IN MIGRAINE PFIZER LIMITED (GB) 1994-10-27 WO disclosed