SCHEMBL9613706

SCHEMBL9613706

[CH2]C(C)(Cc1c[nH]c2ccccc12)C(=O)NCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 3/20 0.56
LMNA P02545 2/20 0.50
GABRP O00591 1/20 0.50
GABRD O14764 1/20 0.50
GABRA1 P14867 1/20 0.50
GABRB1 P18505 1/20 0.50
GABRG2 P18507 1/20 0.50
GABRB3 P28472 1/20 0.50
GABRA5 P31644 1/20 0.50
GABRA3 P34903 1/20 0.50
GABRA2 P47869 1/20 0.50
GABRB2 P47870 1/20 0.50
GABRA4 P48169 1/20 0.50
GABRE P78334 1/20 0.50
GABRA6 Q16445 1/20 0.50
GABRG1 Q8N1C3 1/20 0.50
GABRG3 Q99928 1/20 0.50
GABRQ Q9UN88 1/20 0.50
SLC6A2 P23975 1/20 0.50
FNTA P49354 1/20 0.50

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
SCHEMBL8893362 0.90 CCKBR (0.66) CCKBRLMNAKMT2AMEN1TSHR
SCHEMBL8893462 0.81 ACE (0.50) TACR1KMT2AMEN1TSHRACE
SCHEMBL8999222 0.81 CCKBR (0.54) CCKBRLMNAMC4RTACR1KMT2A
SCHEMBL8999343 0.80 CCKBR (0.50) CCKBRLMNAGABRPGABRDGABRA1
SCHEMBL27785465 0.79 CCKBR (0.52) CCKBRLMNAGABRPGABRDGABRA1
SCHEMBL8998991 0.78 CCKBR (0.56) CCKBRLMNAMC4RKMT2AMEN1
SCHEMBL8999327 0.78 CCKBR (0.51) CCKBRLMNAGABRPGABRDGABRA1
SCHEMBL8999053 0.78 CCKBR (0.53) CCKBRLMNAGABRPGABRDGABRA1
SCHEMBL8999093 0.78 CCKBR (0.51) CCKBRLMNAGABRPGABRDGABRA1
SCHEMBL8704488 0.77 CCKBR (0.62) CCKBRLMNAKMT2AMEN1TSHR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992004045-A1 NOVEL CHOLECYSTOKININ ANTAGONISTS, THEIR PREPARATION AND THERAPEUTIC USE WARNER-LAMBERT COMPANY (US) 1992-03-19 WO disclosed