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SCHEMBL5798997

SCHEMBL5798997

CC[C@@H](C)NC(=O)N1CC(OC(c2ccc(Cl)cc2)c2ccccc2Cl)C1.CC[C@H](C)NC(=O)N1CC(OC(c2ccc(Cl)cc2)c2ccccc2Cl)C1.Cc1cc(CNC(=O)N2CC(OC(c3ccc(Cl)cc3)c3ccccc3Cl)C2)no1.O=C(NCc1ccsc1Br)N1CC(OC(c2ccc(Cl)cc2)c2ccccc2Cl)C1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 16/20 0.39
▸ CNR1 P21554 2/20 0.37
▸ CNR2 P34972 2/20 0.37
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL5481564 0.92 FAAH (0.43) FAAHCNR1CNR2
SCHEMBL4085212 0.86 FAAH (0.45) FAAHCNR1CNR2KMT2A
SCHEMBL4077288 0.85 FAAH (0.43) FAAHCNR1CNR2
SCHEMBL4084842 0.80 FAAH (0.53) FAAHCNR1CNR2
SCHEMBL4075866 0.80 FAAH (0.53) FAAHCNR1CNR2
SCHEMBL4087451 0.79 KMT2A (0.46) FAAHCNR1CNR2KMT2A
SCHEMBL4084824 0.76 FAAH (0.43) FAAHCNR1CNR2
SCHEMBL4077682 0.73 FAAH (0.42) FAAHCNR1CNR2
SCHEMBL4077693 0.72 MEN1 (0.54) FAAHCNR1CNR2KMT2A
SCHEMBL4089341 0.72 CNR1 (0.52) FAAHCNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1620395-A1 AZETIDINECARBOXAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CB1 RECEPTOR MEDIATED DISORDERS VERNALIS RESEARCH LIMITED (GB) 2006-02-01 — — EP claimed
WO-2004096763-A1 AZETIDINECARBOXAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CB1 RECEPTOR MEDIATED DISORDERS VERNALIS RESEARCH LIMITED (GB) 2004-11-11 — — WO claimed