SCHEMBL8924334

SCHEMBL8924334

CC(C)(C)OC(=O)CN1C(=O)C(Br)CCCC1c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAMP1 O60894 3/20 0.50
CALCRL Q16602 3/20 0.50
PLA2G10 O15496 1/20 0.46
PLA2G5 P39877 1/20 0.46
RIPK1 Q13546 6/20 0.42
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CCKBR P32239 1/20 0.37
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL13929747 0.86 RAMP1 (0.50) RAMP1CALCRLPLA2G10PLA2G5RIPK1
SCHEMBL8921216 0.86 RAMP1 (0.50) RAMP1CALCRLPLA2G10PLA2G5RIPK1
SCHEMBL13929783 0.83 RAMP1 (0.56) RAMP1CALCRLPLA2G10PLA2G5RIPK1
SCHEMBL13951818 0.82 RAMP1 (0.56) RAMP1CALCRLPLA2G10PLA2G5RIPK1
SCHEMBL8924459 0.77 PLA2G10 (0.44) RAMP1CALCRLPLA2G10PLA2G5RIPK1
SCHEMBL11028111 0.76 ACHE (0.41) PLA2G10PLA2G5ALDH1A1KMT2AL3MBTL1
SCHEMBL9526266 0.74 PLA2G10 (0.44) RAMP1CALCRLPLA2G10PLA2G5RIPK1
SCHEMBL9526268 0.74 PLA2G10 (0.44) RAMP1CALCRLPLA2G10PLA2G5RIPK1
SCHEMBL8920349 0.74 RAMP1 (0.42) RAMP1CALCRLPLA2G10PLA2G5ALDH1A1
SCHEMBL8921722 0.74 RAMP1 (0.41) RAMP1CALCRLPLA2G10PLA2G5CCKBR

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 9 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
US-4757068-A Lactams and bicyclic lactams useful as cholecystokinin antagonists MERCK & CO., INC. (US) 1988-07-12 US disclosed
US-4680392-A Substituted caprolactam derivatives as antihypertensives MERCK & CO., INC. (US) 1987-07-14 US disclosed
US-4629787-A ANGIOTENSIN CONVERTING ENZYME INHIBITORS MERCK & CO., INC. (US) 1986-12-16 US disclosed
EP-0046291-B1 SUBSTITUTED CAPROLACTAM DERIVATIVES AS ANTIHYPERTENSIVES, PROCESS FOR PREPARING THEM, PHARMACEUTICAL COMPOSITION CONTAINING THEM, AND INTERMEDIATES MERCK & CO. INC. (US) 1985-12-27 EP disclosed
EP-0046291-A2 Substituted caprolactam derivatives as antihypertensives, process for preparing them, pharmaceutical composition containing them, and intermediates MERCK & CO. INC. (US) 1982-02-24 EP disclosed