SCHEMBL7377535

SCHEMBL7377535

COCc1ccc2c(c1)ncn2-c1ccc2[nH]cc(C3CCCCC3)c2c1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GABRP O00591 18/20 0.61
GABRD O14764 18/20 0.61
GABRA1 P14867 18/20 0.61
GABRB1 P18505 18/20 0.61
GABRG2 P18507 18/20 0.61
GABRB3 P28472 18/20 0.61
GABRA5 P31644 18/20 0.61
GABRA3 P34903 18/20 0.61
GABRA2 P47869 18/20 0.61
GABRB2 P47870 18/20 0.61
GABRA4 P48169 18/20 0.61
GABRE P78334 18/20 0.61
GABRA6 Q16445 18/20 0.61
GABRG1 Q8N1C3 18/20 0.61
GABRG3 Q99928 18/20 0.61
GABRQ Q9UN88 18/20 0.61
HTR1A P08908 1/20 0.45
HTR1D P28221 1/20 0.45
TP53 P04637 1/20 0.37

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
SCHEMBL7372985 0.90 GABRP (0.64) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7369571 0.87 GABRP (0.61) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7367222 0.86 GABRP (0.64) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8884705 0.85 GABRP (0.58) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7374723 0.84 GABRP (0.83) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7375686 0.83 GABRP (0.85) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7375793 0.82 GABRP (0.64) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7376439 0.82 GABRP (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7370989 0.81 GABRP (0.55) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7372685 0.80 GABRP (0.61) 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