SCHEMBL9692280

SCHEMBL9692280

CC(C)(C)OC(=O)CN1C(=O)C(N)CCCc2ccccc21

nearest known ligand 0.87

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 4/20 0.55
MAPT P10636 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL30954347 0.93 CCKBR (0.60) CCKBRMAPTSMN1; SMN2
SCHEMBL5698825 0.93 CCKBR (0.60) CCKBRMAPTSMN1; SMN2
SCHEMBL30044625 0.93 CCKBR (0.60) CCKBRMAPTSMN1; SMN2
SCHEMBL5672901 0.93 CCKBR (0.60) CCKBRMAPTSMN1; SMN2
SCHEMBL10736517 0.93 CCKBR (0.60) CCKBRMAPTSMN1; SMN2
SCHEMBL9690349 0.87 CCKBR (0.52) CCKBR
SCHEMBL7445733 0.85 GAA (0.52) MAPT
SCHEMBL8283797 0.83 CCKBR (0.61) CCKBRMAPTSMN1; SMN2
SCHEMBL7438830 0.82 GAA (0.52) MAPT
SCHEMBL7342505 0.82 ACE (0.56)

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
EP-0166354-B1 BENZOFUSED LACTAM COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MERCK & CO. INC. (US) 1992-08-05 EP disclosed
US-4873235-A COUPLING KETO ESTER WITH LACTAM; ANGIOTENSIN CONVERTING ENZYME INHIBITORS MERCK & CO., INC. (US) 1989-10-10 US disclosed
US-4692522-A Benzofused lactams useful as cholecystokinin antagonists MERCK & CO., INC. (US) 1987-09-08 US disclosed
US-4684645-A GASTROINTESTINAL AND NERVOUS SYSTEM DISORDERS MERCK & CO., INC. (US) 1987-08-04 US disclosed