SCHEMBL8041537

SCHEMBL8041537

CN(C)CC1(c2ccccc2)CCNCC1

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 12/20 0.69
SLC6A3 Q01959 12/20 0.69
SLC6A2 P23975 9/20 0.69
OPRM1 P35372 3/20 0.65
OPRL1 P41146 2/20 0.65
TACR1 P25103 5/20 0.51

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
SCHEMBL30232507 0.83 SLC6A4 (0.71) SLC6A4SLC6A3SLC6A2OPRM1OPRL1
SCHEMBL1201181 0.81 SLC6A4 (1.00) SLC6A4SLC6A3SLC6A2OPRM1OPRL1
SCHEMBL374167 0.81 DUT (0.46) SLC6A4SLC6A3SLC6A2OPRM1OPRL1
SCHEMBL374107 0.81 OPRM1 (0.46) SLC6A4SLC6A3SLC6A2OPRM1OPRL1
Hydrochloric Acid SCHEMBL3518260 0.80 SLC6A4 (0.96) SLC6A4SLC6A3SLC6A2OPRM1OPRL1
SCHEMBL4630111 0.80 SLC6A2 (0.45) SLC6A4SLC6A3SLC6A2OPRM1OPRL1
SCHEMBL3246807 0.79 TACR1 (0.56) SLC6A4OPRM1TACR1
SCHEMBL3408207 0.79 OPRL1 (1.00) SLC6A4SLC6A3SLC6A2OPRM1OPRL1
Hydrochloric Acid SCHEMBL1513382 0.78 TACR1 (0.54) SLC6A4OPRM1TACR1
SCHEMBL3133325 0.78 SLC6A4 (0.76) SLC6A4SLC6A3SLC6A2OPRM1OPRL1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009050248-A1 SUBSTITUTED PIPERIDINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-23 WO disclosed