SCHEMBL8589463

SCHEMBL8589463

CC(C1C(c2ccc(Cl)c(Cl)c2)CCCN1C(=O)c1ccccc1)N1CCC(O)(c2ccccc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.42
TACR2 P21452 1/20 0.42
OPRM1 P35372 7/20 0.41
OPRK1 P41145 7/20 0.41
OPRL1 P41146 7/20 0.41
OPRD1 P41143 6/20 0.41
CNR2 P34972 6/20 0.39
CNR1 P21554 3/20 0.38
ABCG2 Q9UNQ0 2/20 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
SCHEMBL8594647 0.89 RIPK1 (0.41) TACR1TACR2OPRM1OPRK1OPRL1
SCHEMBL8589466 0.81 TACR1 (0.46) TACR1TACR2OPRK1
Hydrochloric Acid SCHEMBL8592855 0.78 POLB (0.43) TACR1TACR2OPRM1OPRK1OPRL1
SCHEMBL8592986 0.77 OPRM1 (0.44) TACR2OPRM1OPRK1OPRL1OPRD1
Hydrochloric Acid SCHEMBL8592434 0.76 OPRM1 (0.41) TACR1TACR2OPRM1OPRK1OPRL1
SCHEMBL8593208 0.72 UTS2R (0.39) TACR1TACR2OPRM1OPRK1ABCG2
SCHEMBL8594648 0.72 TACR1 (0.42) TACR1TACR2OPRM1OPRK1OPRD1
SCHEMBL8589975 0.71 RIPK1 (0.41) TACR1
Hydrochloric Acid SCHEMBL8593270 0.71 UTS2R (0.47) TACR1OPRK1
Hydrochloric Acid SCHEMBL8593239 0.69 TACR2 (0.49) TACR1TACR2

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
US-5770735-A Polycyclic amine compounds and their enantiomers, their method of preparation and pharmaceutical compositions in which they are present ELF SANOFI (FR) 1998-06-23 US disclosed