SCHEMBL20141215

SCHEMBL20141215

COC(=O)c1cc(N(c2cccc(OC)c2)C2CCNCC2)c(C)cc1C

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.39
MTNR1A P48039 2/20 0.39
MTNR1B P49286 2/20 0.39
OPRM1 P35372 6/20 0.38
OPRD1 P41143 5/20 0.38
OPRK1 P41145 3/20 0.38
HSD17B1 P14061 1/20 0.37
HSD17B2 P37059 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37

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
SCHEMBL20140944 0.91 OPRM1 (0.40) HTR2CMTNR1AMTNR1BOPRM1OPRD1
SCHEMBL20141049 0.86 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3
SCHEMBL20141613 0.81 SLC6A2 (0.38) HTR2COPRM1OPRD1SLC6A2SLC6A4
SCHEMBL20141029 0.77 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3
SCHEMBL20141150 0.76 CA12 (0.40)
SCHEMBL20140900 0.75 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3
SCHEMBL20141026 0.75 NR1I2 (0.41) SLC6A2SLC6A4
SCHEMBL20141281 0.75 MTOR (0.35) SLC6A2SLC6A4SLC6A3
SCHEMBL20141074 0.74 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3
SCHEMBL6334423 0.72 OPRM1 (0.67) OPRM1OPRD1OPRK1

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-3538091-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF Navitor Pharmaceuticals, Inc. (US) 2019-09-18 EP disclosed
WO-2018089499-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed