SCHEMBL7305853

SCHEMBL7305853

CCN(CC)C(=O)N(C)CC1(c2ccccc2)CCNCC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.45
SLC6A3 Q01959 4/20 0.42
SLC6A4 P31645 4/20 0.42
SLC6A2 P23975 3/20 0.42
TACR1 P25103 2/20 0.41
OPRL1 P41146 1/20 0.40
KCNA3 P22001 1/20 0.40
LMNA P02545 1/20 0.40
OPRD1 P41143 4/20 0.40
OPRK1 P41145 1/20 0.40
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CYP2D6 P10635 4/20 0.38
KCNH2 Q12809 3/20 0.38
HTR2C P28335 1/20 0.38

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
SCHEMBL4630111 0.88 SLC6A2 (0.45) OPRM1SLC6A3SLC6A4SLC6A2TACR1
SCHEMBL7745898 0.87 POLB (0.39) OPRM1SLC6A3SLC6A4SLC6A2TACR1
SCHEMBL374107 0.83 OPRM1 (0.46) OPRM1SLC6A3SLC6A4SLC6A2TACR1
SCHEMBL7305712 0.81 OPRM1 (0.53) OPRM1SLC6A3SLC6A4SLC6A2TACR1
SCHEMBL4630753 0.81 OPRM1 (0.56) OPRM1SLC6A3SLC6A4SLC6A2TACR1
SCHEMBL7306023 0.79 CACNA1G (0.52) OPRM1OPRL1KCNA3OPRD1OPRK1
SCHEMBL8064379 0.78 OPRM1 (0.47) OPRM1SLC6A3SLC6A4SLC6A2TACR1
SCHEMBL8041537 0.77 SLC6A4 (0.69) OPRM1SLC6A3SLC6A4SLC6A2TACR1
SCHEMBL7749119 0.76 CYP2C19 (0.40) OPRM1SLC6A3SLC6A4SLC6A2TACR1
SCHEMBL7305720 0.75 ALDH1A1 (0.48) OPRM1OPRL1KCNA3LMNA

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
EP-0673928-A1 Novel N-(3,4-dichlorophenyl-propyl)-piperidine derivatives as selective human NK3-receptor antagonists SANOFI (FR) 1995-09-27 EP disclosed