SCHEMBL7369571

SCHEMBL7369571

CN(C)Cc1ccc2c(c1)ncn2-c1ccc2[nH]cc(C3CCCCC3)c2c1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GABRP O00591 20/20 0.61
GABRD O14764 20/20 0.61
GABRA1 P14867 20/20 0.61
GABRB1 P18505 20/20 0.61
GABRG2 P18507 20/20 0.61
GABRB3 P28472 20/20 0.61
GABRA5 P31644 20/20 0.61
GABRA3 P34903 20/20 0.61
GABRA2 P47869 20/20 0.61
GABRB2 P47870 20/20 0.61
GABRA4 P48169 20/20 0.61
GABRE P78334 20/20 0.61
GABRA6 Q16445 20/20 0.61
GABRG1 Q8N1C3 20/20 0.61
GABRG3 Q99928 20/20 0.61
GABRQ Q9UN88 20/20 0.61
HTR1A P08908 2/20 0.45
HTR1D P28221 2/20 0.45

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
SCHEMBL7377535 0.87 GABRP (0.61) 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
SCHEMBL7371338 0.82 GABRP (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7367222 0.82 GABRP (0.64) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7376726 0.81 GABRP (0.54) 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