SCHEMBL9301545

SCHEMBL9301545

CN1C(=O)[C@H](N)N=C(C2CCCC2)c2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.58
GABRD O14764 1/20 0.58
GABRA1 P14867 1/20 0.58
GABRB1 P18505 1/20 0.58
GABRG2 P18507 1/20 0.58
GABRB3 P28472 1/20 0.58
GABRA5 P31644 1/20 0.58
GABRA3 P34903 1/20 0.58
GABRA2 P47869 1/20 0.58
GABRB2 P47870 1/20 0.58
GABRA4 P48169 1/20 0.58
GABRE P78334 1/20 0.58
GABRA6 Q16445 1/20 0.58
GABRG1 Q8N1C3 1/20 0.58
GABRG3 Q99928 1/20 0.58
GABRQ Q9UN88 1/20 0.58
CCKBR P32239 16/20 0.52
CCKAR P32238 1/20 0.42

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
SCHEMBL9301551 1.00 GABRP (0.58) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9301542 1.00 GABRP (0.58) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8824718 0.99 GABRP (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8824709 0.99 GABRP (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8824651 0.99 GABRP (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7682526 0.99 GABRP (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4414712 0.99 GABRP (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8824713 0.99 GABRP (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8880700 0.97 GABRP (0.58) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8880707 0.97 GABRP (0.58) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5360802-A Antagonists of cholecystokinin and gastrin MERCK SHARPE & DOHME LTD. 1994-11-01 US disclosed
EP-0514133-A1 Benzodiazepine derivatives, compositions containing them and their use in therapy MERCK SHARP & DOHME LTD. (GB) 1992-11-19 EP disclosed