SCHEMBL8923534

SCHEMBL8923534

CC(=O)N(N1C(=O)C(NC(=O)Nc2cccc(C(F)(F)F)c2)CC(c2ccccc2)CC1c1ccccc1)C(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 16/20 0.57
GRIN2B Q13224 1/20 0.49
EPHX2 P34913 1/20 0.45
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
UBE2M P61081 1/20 0.43
DCUN1D1 Q96GG9 1/20 0.43

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
SCHEMBL8920913 0.91 CCKBR (0.60) CCKBR
SCHEMBL8920338 0.91 CCKBR (0.50) CCKBR
SCHEMBL8922705 0.90 CCKBR (0.55) CCKBR
SCHEMBL8922441 0.89 CCKBR (0.51) CCKBRGRIN2B
SCHEMBL8919350 0.89 CCKBR (0.65) CCKBR
SCHEMBL8919641 0.88 CCKBR (0.53) CCKBR
SCHEMBL8919276 0.88 CCKBR (0.54) CCKBR
SCHEMBL8922358 0.87 CCKBR (0.53) CCKBR
SCHEMBL8921287 0.87 CCKBR (0.68) CCKBR
SCHEMBL8922639 0.87 CCKBR (0.69) CCKBR

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-5643904-A Substituted hexahdryoazepinones and tetrahydrobenzazepinones PFIZER INC. (US) 1997-07-01 US disclosed
US-5484917-A FOR TREATMENT AND PREVENTION OF GASTROINTESTINAL DISORDERS, PAIN AND ANXIETY PFIZER INC. (US) 1996-01-16 US disclosed