SCHEMBL6667597

SCHEMBL6667597

CCc1cc(CC)cc(CC(=O)N2CCOC(CCO)(c3ccc(Cl)c(Cl)c3)C2)c1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.46
SLC6A2 P23975 8/20 0.41
SLC6A4 P31645 8/20 0.41
TACR2 P21452 2/20 0.38
TACR1 P25103 2/20 0.38
SLC6A3 Q01959 2/20 0.35
CYP2D6 P10635 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
SCHEMBL6665246 0.90 KMT2A (0.46) KMT2ASLC6A2SLC6A4TACR2TACR1
SCHEMBL6663124 0.90 KMT2A (0.47) KMT2ASLC6A2SLC6A4TACR2TACR1
SCHEMBL6951632 0.88 KMT2A (0.43) KMT2ASLC6A2SLC6A4TACR2TACR1
SCHEMBL6663095 0.87 KMT2A (0.45) KMT2ASLC6A2SLC6A4TACR2TACR1
SCHEMBL3977770 0.87 KMT2A (0.44) KMT2ASLC6A2SLC6A4TACR1
SCHEMBL3985942 0.87 KMT2A (0.44) KMT2ASLC6A2SLC6A4TACR1
SCHEMBL4631723 0.85 KMT2A (0.47) KMT2ASLC6A2SLC6A4TACR2TACR1
SCHEMBL14028101 0.84 SLC6A2 (0.45) KMT2ASLC6A2SLC6A4TACR2SLC6A3
SCHEMBL4941690 0.84 KDM4E (0.44) KMT2ASLC6A2SLC6A4TACR2
SCHEMBL6663281 0.83 TACR2 (0.42) KMT2ATACR2TACR1

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