SCHEMBL7368520

SCHEMBL7368520

CCc1ccc2c(c1)ncn2-c1ccc2[nH]cc(CC)c2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 16/20 0.58
GABRD O14764 16/20 0.58
GABRA1 P14867 16/20 0.58
GABRB1 P18505 16/20 0.58
GABRG2 P18507 16/20 0.58
GABRB3 P28472 16/20 0.58
GABRA5 P31644 16/20 0.58
GABRA3 P34903 16/20 0.58
GABRA2 P47869 16/20 0.58
GABRB2 P47870 16/20 0.58
GABRA4 P48169 16/20 0.58
GABRE P78334 16/20 0.58
GABRA6 Q16445 16/20 0.58
GABRG1 Q8N1C3 16/20 0.58
GABRG3 Q99928 16/20 0.58
GABRQ Q9UN88 16/20 0.58
HTR1D P28221 5/20 0.50
HTR1A P08908 4/20 0.50
HTR1B P28222 3/20 0.45
TP53 P04637 1/20 0.43

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
SCHEMBL7376726 0.90 GABRP (0.54) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7370989 0.90 GABRP (0.55) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7374294 0.89 GABRP (0.53) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7374398 0.88 GABRP (0.51) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7373794 0.88 GABRP (0.66) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7378744 0.87 GABRP (0.67) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7373283 0.85 FGFR1 (0.54) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7368799 0.85 GABRP (0.55) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7373298 0.83 GABRP (0.52) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7372985 0.81 GABRP (0.64) 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
US-5688809-A 5-heteroarylindole derivatives PFIZER INC. (US) 1997-11-18 US disclosed
EP-0743942-A1 5-HETEROARYLINDOLE DERIVATIVES AS BENZODIAZEPINE RECEPTOR SITE AGONISTS AND ANTAGONISTS PFIZER INC. (US) 1996-11-27 EP disclosed
WO-1995021836-A1 5-HETEROARYLINDOLE DERIVATIVES AS BENZODIAZEPINE RECEPTOR SITE AGONISTS AND ANTAGONISTS PFIZER INC. (US) 1995-08-17 WO disclosed