SCHEMBL6668093

SCHEMBL6668093

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

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.41
TACR2 P21452 3/20 0.37
TACR1 P25103 2/20 0.37
SLC6A2 P23975 6/20 0.35
SLC6A4 P31645 6/20 0.35
CNR1 P21554 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
SCHEMBL4631235 0.92 KMT2A (0.41) KMT2ATACR2TACR1
SCHEMBL6664233 0.92 KMT2A (0.41) KMT2ATACR2TACR1SLC6A2SLC6A4
SCHEMBL6662514 0.90 KMT2A (0.39) KMT2ATACR2TACR1CNR1
SCHEMBL7501724 0.85 TACR2 (0.51) KMT2ATACR2TACR1
SCHEMBL4630864 0.85 TACR2 (0.51) KMT2ATACR2TACR1
SCHEMBL6663124 0.85 KMT2A (0.47) KMT2ATACR2TACR1SLC6A2SLC6A4
SCHEMBL4630697 0.83 TACR2 (0.50) TACR2TACR1
SCHEMBL6199169 0.83 TACR2 (0.39) KMT2ATACR2SLC6A2SLC6A4CNR1
SCHEMBL6665548 0.83 KMT2A (0.40) KMT2ATACR2TACR1CNR1
SCHEMBL6196499 0.81 CCR5 (0.39) KMT2ATACR2CNR1

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