SCHEMBL8538308

SCHEMBL8538308

Cc1ccnc(CN2C(=O)C(N)N=C(c3ccccc3)c3ccccc32)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.56
GABRD O14764 1/20 0.56
GABRA1 P14867 1/20 0.56
GABRB1 P18505 1/20 0.56
GABRG2 P18507 1/20 0.56
GABRB3 P28472 1/20 0.56
GABRA5 P31644 1/20 0.56
GABRA3 P34903 1/20 0.56
GABRA2 P47869 1/20 0.56
GABRB2 P47870 1/20 0.56
GABRA4 P48169 1/20 0.56
GABRE P78334 1/20 0.56
GABRA6 Q16445 1/20 0.56
GABRG1 Q8N1C3 1/20 0.56
GABRG3 Q99928 1/20 0.56
GABRQ Q9UN88 1/20 0.56
TP53 P04637 1/20 0.51
CCKBR P32239 7/20 0.46
BRD4 O60885 1/20 0.46
BRD2 P25440 1/20 0.46

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
SCHEMBL8538311 1.00 GABRP (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8534662 0.88 CCKBR (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8534655 0.88 CCKBR (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8534529 0.85 TP53 (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8534531 0.85 TP53 (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3295207 0.79 GABRP (0.69) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL27627205 0.79 GABRP (0.69) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8536297 0.78 GABRP (0.52) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8536300 0.78 GABRP (0.52) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8774027 0.77 CCKBR (0.77) CCKBRCCKARCYP3A4MAPTTSHR

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-5763437-A Benzodiazepine derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-09 US disclosed
EP-0804425-A2 BENZODIAZEPINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-11-05 EP disclosed
WO-1996004254-A2 BENZODIAZEPINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-02-15 WO disclosed