SCHEMBL8921847

SCHEMBL8921847

Cc1cccc(N(C(N)=O)C2CCCC(C3CCCCC3)N(CC(=O)OC34CC5CC(CC(C5)C3)C4)C2=O)c1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
NPSR1 Q6W5P4 1/20 0.31
CYP19A1 P11511 2/20 0.30
CYP17A1 P05093 1/20 0.30
CCR1 P32246 1/20 0.30
CCR2 P41597 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
SCHEMBL8924342 0.91 ALDH1A1 (0.35) SMN1; SMN2
SCHEMBL8919291 0.90 CCKBR (0.32) L3MBTL1CYP19A1CYP17A1CCR1CCR2
SCHEMBL8926039 0.90 DRD2 (0.32) LMNARAB9ASMN1; SMN2L3MBTL1
SCHEMBL9541317 0.88 LMNA (0.38) LMNARAB9ASMN1; SMN2L3MBTL1NPSR1
SCHEMBL8924472 0.86 L3MBTL1 (0.33) L3MBTL1NPSR1CCR1CCR2
SCHEMBL8919489 0.84 L3MBTL1 (0.37) SMN1; SMN2L3MBTL1NPSR1CCR1CCR2
SCHEMBL9365841 0.83 NPSR1 (0.32) SMN1; SMN2L3MBTL1NPSR1CCR1CCR2
SCHEMBL8920231 0.81 CCKBR (0.31)
SCHEMBL9362054 0.81 ALDH1A1 (0.45) LMNARAB9ASMN1; SMN2
SCHEMBL9362772 0.79 HSD11B1 (0.36) LMNASMN1; SMN2L3MBTL1

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