SCHEMBL8746508

SCHEMBL8746508

CC(=O)OCCN1C(=O)[C@H](N)N=C(c2ccccc2)c2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.60
GABRD O14764 1/20 0.60
GABRA1 P14867 1/20 0.60
GABRB1 P18505 1/20 0.60
GABRG2 P18507 1/20 0.60
GABRB3 P28472 1/20 0.60
GABRA5 P31644 1/20 0.60
GABRA3 P34903 1/20 0.60
GABRA2 P47869 1/20 0.60
GABRB2 P47870 1/20 0.60
GABRA4 P48169 1/20 0.60
GABRE P78334 1/20 0.60
GABRA6 Q16445 1/20 0.60
GABRG1 Q8N1C3 1/20 0.60
GABRG3 Q99928 1/20 0.60
GABRQ Q9UN88 1/20 0.60
HDAC3 O15379 11/20 0.49
HDAC1 Q13547 10/20 0.49
HDAC6 Q9UBN7 10/20 0.49
HDAC8 Q9BY41 4/20 0.49

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
SCHEMBL8746591 1.00 GABRP (0.60) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8746489 0.87 CCKBR (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8746503 0.87 CCKBR (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9865451 0.83 CCKBR (0.63) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9423203 0.83 GABRP (0.66) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3289065 0.83 GABRP (0.70) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9423201 0.83 GABRP (0.66) GABRPGABRDGABRA1GABRB1GABRG2
Oxalic Acid SCHEMBL5658632 0.81 GABRP (0.63) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8536760 0.80 CCKBR (0.70) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8536757 0.80 CCKBR (0.70) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0349949-B1 Benzodiazepine derivatives FUJISAWA PHARMACEUTICAL CO (JP) 1997-01-08 EP disclosed
US-5382664-A Benzodiazepine derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-01-17 US disclosed
US-5264433-A Benzodiazepine derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-11-23 US disclosed
US-4970207-A Benzodiazepine derivatives FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1990-11-13 US disclosed
EP-0349949-A2 Benzodiazepine derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-01-10 EP disclosed