SCHEMBL8924472

SCHEMBL8924472

Cc1cccc(N(C(N)=O)C2CCCC(C3CCCCC3)N(CC(=O)OC3C4CC5CC(C4)CC3C5)C2=O)c1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.33
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CCR1 P32246 1/20 0.30
CCR2 P41597 1/20 0.30
ALOX15 P16050 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL8923583 0.91 L3MBTL1 (0.32) L3MBTL1CCR1CCR2ALDH1A1
SCHEMBL8922635 0.90 OPRM1 (0.33) CHRM2CHRM1CHRM3ALDH1A1
SCHEMBL8922568 0.90 MAPT (0.32) L3MBTL1ALOX15ALDH1A1MAPTPKM
SCHEMBL9365841 0.87 NPSR1 (0.32) L3MBTL1NPSR1CCR1CCR2ALOX15
SCHEMBL8921847 0.86 LMNA (0.34) L3MBTL1NPSR1CCR1CCR2
SCHEMBL8919489 0.85 L3MBTL1 (0.37) L3MBTL1NPSR1CCR1CCR2ALOX15
SCHEMBL9541317 0.84 LMNA (0.38) L3MBTL1NPSR1CCR1CCR2ALOX15
SCHEMBL8922114 0.81 MDM2 (0.32)
SCHEMBL9362140 0.79 L3MBTL1 (0.33) L3MBTL1CCR1CCR2ALDH1A1
SCHEMBL9362959 0.79 MTNR1A (0.34) ALDH1A1

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 4 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
EP-0625145-A1 3-PHENYLUREIDO-AZEPIN-2-ONES AND -BENZAZEPIN-2-ONES USEFUL AS CHOLECYSTOKININ ANTAGONISTS PFIZER INC. (US) 1994-11-23 EP disclosed
WO-1993015059-A1 3-PHENYLUREIDO-AZEPIN-2-ONES AND -BENZAZEPIN-2-ONES USEFUL AS CHOLECYSTOKININ ANTAGONISTS PFIZER INC. (US) 1993-08-05 WO disclosed