SCHEMBL8534697

SCHEMBL8534697

COc1ccnc(CN2C(=O)[C@@H](N)N=C(c3ccccc3F)c3ccccc32)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 10/20 0.45
CCKAR P32238 7/20 0.45
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
GABRA4 P48169 1/20 0.39
GABRE P78334 1/20 0.39
GABRA6 Q16445 1/20 0.39
GABRG1 Q8N1C3 1/20 0.39
GABRG3 Q99928 1/20 0.39
GABRQ Q9UN88 1/20 0.39
LMNA P02545 1/20 0.37
POLB P06746 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
SCHEMBL8534694 1.00 CCKBR (0.45) CCKBRCCKARGABRPGABRDGABRA1
SCHEMBL8534655 0.87 CCKBR (0.42) CCKBRCCKARGABRPGABRDGABRA1
SCHEMBL8534662 0.87 CCKBR (0.42) CCKBRCCKARGABRPGABRDGABRA1
SCHEMBL8535424 0.86 CCKBR (0.44) CCKBRCCKARLMNAPOLBMAPT
SCHEMBL8536814 0.85 CCKBR (0.44) CCKBRCCKARGABRPGABRDGABRA1
SCHEMBL8536809 0.85 CCKBR (0.44) CCKBRCCKARGABRPGABRDGABRA1
SCHEMBL8774610 0.85 CCKBR (0.44) CCKBRCCKARGABRPGABRDGABRA1
SCHEMBL8774595 0.85 CCKBR (0.44) CCKBRCCKARGABRPGABRDGABRA1
SCHEMBL8538018 0.84 MEN1 (0.48) CCKBRCCKARGABRPGABRDGABRA1
SCHEMBL8538022 0.84 MEN1 (0.48) CCKBRCCKARGABRPGABRDGABRA1

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 2 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