SCHEMBL6662514

SCHEMBL6662514

CS(=O)(=O)OCCC1(c2ccc(Cl)c(Cl)c2)CN(C(=O)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCO1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
CNR1 P21554 5/20 0.38
TACR1 P25103 4/20 0.36
TACR2 P21452 2/20 0.35
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
MEN1 O00255 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
SCHEMBL6668093 0.90 KMT2A (0.41) KMT2ACNR1TACR1TACR2
SCHEMBL3980986 0.90 CNR1 (0.37) KMT2ACNR1TACR1TACR2OPRD1
SCHEMBL3980984 0.90 CNR1 (0.37) KMT2ACNR1TACR1TACR2OPRD1
SCHEMBL3987361 0.90 CNR1 (0.39) KMT2ACNR1TACR1TACR2
SCHEMBL3979436 0.90 CNR1 (0.39) KMT2ACNR1OPRD1OPRK1
SCHEMBL3987362 0.90 CNR1 (0.39) KMT2ACNR1TACR1TACR2
SCHEMBL3983091 0.90 CNR1 (0.39) KMT2ACNR1OPRD1OPRK1
SCHEMBL4870849 0.89 TACR2 (0.38) TACR1TACR2
SCHEMBL5106738 0.89 TACR2 (0.38) TACR1TACR2
SCHEMBL6664233 0.89 KMT2A (0.41) KMT2ATACR1TACR2

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-1165528-B1 NOVEL MORPHOLINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL PREPARATIONS CONTAINING SAID DERIVATIVES SANOFI SYNTHELABO (FR) 2004-09-01 EP disclosed
US-6506750-B1 N-(phenylacetyl)morpholine derivatives useful as NK1 receptor antagonists, a process for the preparation thereof, and pharmaceutical compositions containing them as active principle. SANOFI-SYNTHELABO (FR) 2003-01-14 US disclosed
EP-1165528-A1 NOVEL MORPHOLINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL PREPARATIONS CONTAINING SAID DERIVATIVES SANOFI-SYNTHELABO (FR) 2002-01-02 EP disclosed
WO-2000058292-A1 NOVEL MORPHOLINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL PREPARATIONS CONTAINING SAID DERIVATIVES SANOFI-SYNTHELABO (FR) 2000-10-05 WO disclosed