SCHEMBL6665548

SCHEMBL6665548

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

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.40
TACR2 P21452 5/20 0.40
TACR1 P25103 2/20 0.39
SIGMAR1 Q99720 1/20 0.36
CNR1 P21554 1/20 0.36

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
SCHEMBL4630770 0.93 KMT2A (0.41) KMT2ATACR2TACR1SIGMAR1
SCHEMBL6666806 0.92 TACR2 (0.40) KMT2ATACR2TACR1
SCHEMBL6661500 0.90 KMT2A (0.38) KMT2ATACR2TACR1CNR1
SCHEMBL4941446 0.89 TACR2 (0.40) KMT2ATACR2TACR1
SCHEMBL4941557 0.87 TACR2 (0.39) KMT2ATACR2TACR1
SCHEMBL4631761 0.87 TACR2 (0.49) TACR2TACR1
SCHEMBL6663124 0.84 KMT2A (0.47) KMT2ATACR2TACR1SIGMAR1
SCHEMBL6668093 0.83 KMT2A (0.41) KMT2ATACR2TACR1CNR1
SCHEMBL6949126 0.79 KMT2A (0.46) KMT2ATACR2TACR1SIGMAR1CNR1
SCHEMBL4631723 0.78 KMT2A (0.47) KMT2ATACR2TACR1SIGMAR1

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-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