SCHEMBL7853141

SCHEMBL7853141

COCCN1CCCC1Cc1c[nH]c2ccc(N)cc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 3/20 0.60
GABRD O14764 3/20 0.60
GABRA1 P14867 3/20 0.60
GABRB1 P18505 3/20 0.60
GABRG2 P18507 3/20 0.60
GABRB3 P28472 3/20 0.60
GABRA5 P31644 3/20 0.60
GABRA3 P34903 3/20 0.60
GABRA2 P47869 3/20 0.60
GABRB2 P47870 3/20 0.60
GABRA4 P48169 3/20 0.60
GABRE P78334 3/20 0.60
GABRA6 Q16445 3/20 0.60
GABRG1 Q8N1C3 3/20 0.60
GABRG3 Q99928 3/20 0.60
GABRQ Q9UN88 3/20 0.60
HTR1B P28222 8/20 0.59
HTR1A P08908 2/20 0.59
HTR1D P28221 6/20 0.56
HTR6 P50406 6/20 0.56

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
SCHEMBL7853144 1.00 GABRP (0.60) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL31670929 0.87 HTR1B (0.78) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8885771 0.87 HTR1B (0.59) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1122175 0.85 HTR1B (0.76) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1122542 0.85 HTR1B (0.76) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1122165 0.85 HTR1B (0.76) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7850277 0.84 GABRP (0.61) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7850275 0.84 GABRP (0.61) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7808656 0.83 GABRP (0.65) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8979690 0.82 GABRP (0.53) GABRPGABRDGABRA1GABRB1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0666858-B1 5-ARYLINDOLE DERIVATIVES AND THEIR USE AS SEROTONIN (5-HT 1) AGONISTS PFIZER (US) 2001-06-13 EP disclosed
EP-1094064-A1 5-arylindolederivatives and their use as serotonin(5-ht1)agonists PFIZER INC. (US) 2001-04-25 EP disclosed
US-5886008-A 5-arylindole derivatives PFIZER INC. (US) 1999-03-23 US disclosed