SCHEMBL9536151

SCHEMBL9536151

CCCCc1nc(Cl)c(Cc2ccc(CNC(=O)C(Cc3ccccc3)C[C@@H](C(=O)O)c3ccccc3)cc2)[nH]1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MME P08473 4/20 0.40
AGTR1 P30556 4/20 0.40
PPARG P37231 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GAA P10253 1/20 0.37
EPHX2 P34913 1/20 0.36

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
SCHEMBL8741223 0.73 EPHX2 (0.48) GAAEPHX2
SCHEMBL8741267 0.67 PARP1 (0.42) PPARGKMT2A
SCHEMBL9530397 0.66 BRS3 (0.40) MMEAGTR1PPARG
SCHEMBL7324034 0.65 AGTR1 (0.51) AGTR1
SCHEMBL9297390 0.65 PPARG (0.61) PPARGMEN1KMT2AEPHX2
SCHEMBL9333932 0.65 AGTR1 (0.44) AGTR1MEN1KMT2A
SCHEMBL8954337 0.65 EPHX2 (0.38) KMT2AEPHX2
SCHEMBL9529061 0.64 CYP1A2 (0.39) MMEPPARG
SCHEMBL9052148 0.63 PARP1 (0.40) PPARG
SCHEMBL6703361 0.62 PARP1 (0.43)

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
EP-0561941-A1 N-SUBSTITUTED LACTAMS USEFUL AS CHOLECYSTOKININ ANTAGONISTS. SEARLE & CO (US) 1993-09-29 EP disclosed