SCHEMBL7234087

SCHEMBL7234087

CC(C)(C)CN1C(=O)[C@H](CC(=O)N2CCCC(C(=O)O)C2)O[C@@H](c2cccc3c2OCCO3)c2cc(OC(F)(F)F)ccc21

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 11/20 0.45
HCRTR1 O43613 3/20 0.38
HCRTR2 O43614 3/20 0.38

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
SCHEMBL7239081 0.95 FDFT1 (0.45) FDFT1
SCHEMBL7238804 0.93 FDFT1 (0.49) FDFT1
SCHEMBL7236311 0.92 FDFT1 (0.53) FDFT1HCRTR1HCRTR2
SCHEMBL7239836 0.90 FDFT1 (0.47) FDFT1
SCHEMBL7240963 0.89 FDFT1 (0.55) FDFT1
SCHEMBL7236615 0.88 FDFT1 (0.49) FDFT1
SCHEMBL7236599 0.88 FDFT1 (0.49) FDFT1
SCHEMBL7241816 0.88 FDFT1 (0.45) FDFT1
SCHEMBL7235973 0.88 FDFT1 (0.49) FDFT1
SCHEMBL7238204 0.87 FDFT1 (0.53) FDFT1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6537987-B1 This invention relates to certain benzoxazepinones and benzothiazepinones useful as hypocholesterolemic agents, hypotriglyceridemic agents, antiatherosclerosis agents, antifungal agents, anti-Alzheimer's agents or anti-acne PFIZER INC. 2003-03-25 US claimed
WO-1997048701-A1 4,1-BENZOXAZEPINES OR 4,1-BENZOTHIAZEPINES AND THEIR USE AS SQUALENE SYNTHETASE INHIBITORS PFIZER INC. (US) 1997-12-24 WO claimed
US-6537987-B1 This invention relates to certain benzoxazepinones and benzothiazepinones useful as hypocholesterolemic agents, hypotriglyceridemic agents, antiatherosclerosis agents, antifungal agents, anti-Alzheimer's agents or anti-acne PFIZER INC. 2003-03-25 US disclosed