SCHEMBL7367222

SCHEMBL7367222

COc1ccc2c(c1)ncn2-c1ccc2[nH]cc(C3CCCCC3)c2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 12/20 0.64
GABRD O14764 12/20 0.64
GABRA1 P14867 12/20 0.64
GABRB1 P18505 12/20 0.64
GABRG2 P18507 12/20 0.64
GABRB3 P28472 12/20 0.64
GABRA5 P31644 12/20 0.64
GABRA3 P34903 12/20 0.64
GABRA2 P47869 12/20 0.64
GABRB2 P47870 12/20 0.64
GABRA4 P48169 12/20 0.64
GABRE P78334 12/20 0.64
GABRA6 Q16445 12/20 0.64
GABRG1 Q8N1C3 12/20 0.64
GABRG3 Q99928 12/20 0.64
GABRQ Q9UN88 12/20 0.64
FGFR1 P11362 3/20 0.49
MTNR1A P48039 1/20 0.48
MTNR1B P49286 1/20 0.48
TP53 P04637 1/20 0.47

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
SCHEMBL7374723 0.87 GABRP (0.83) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7375686 0.86 GABRP (0.85) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7377535 0.86 GABRP (0.61) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7375793 0.85 GABRP (0.64) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7372985 0.84 GABRP (0.64) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7372685 0.82 GABRP (0.61) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7369571 0.82 GABRP (0.61) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7371386 0.81 FGFR1 (0.57) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8884702 0.81 GABRP (0.59) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7371704 0.80 GABRP (0.59) 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