SCHEMBL6661500

SCHEMBL6661500

O=C(OCCC1(c2ccc(Cl)c(Cl)c2)CN(C(=O)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCO1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
TACR1 P25103 6/20 0.38
TACR2 P21452 4/20 0.38
MEN1 O00255 1/20 0.37
CNR1 P21554 1/20 0.36
USP2 O75604 1/20 0.35

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
SCHEMBL6665548 0.90 KMT2A (0.40) KMT2ATACR1TACR2CNR1
SCHEMBL6666806 0.89 TACR2 (0.40) KMT2ATACR1TACR2
SCHEMBL4630770 0.87 KMT2A (0.41) KMT2ATACR1TACR2
SCHEMBL3987362 0.87 CNR1 (0.39) KMT2ATACR1TACR2CNR1USP2
SCHEMBL3987361 0.87 CNR1 (0.39) KMT2ATACR1TACR2CNR1USP2
SCHEMBL4941446 0.86 TACR2 (0.40) KMT2ATACR1TACR2MEN1
SCHEMBL3985942 0.85 KMT2A (0.44) KMT2ATACR1MEN1CNR1
SCHEMBL3977770 0.85 KMT2A (0.44) KMT2ATACR1MEN1CNR1
SCHEMBL4941557 0.85 TACR2 (0.39) KMT2ATACR1TACR2
SCHEMBL6662514 0.84 KMT2A (0.39) KMT2ATACR1TACR2MEN1CNR1

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