SCHEMBL7963807

SCHEMBL7963807

NC1CCN([C@H]2CC[C@H](c3ccccn3)CC2)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.45
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
OPRL1 P41146 1/20 0.40
TRPV6 Q9H1D0 1/20 0.40
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
DRD4 P21917 1/20 0.38
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAP4K4 O95819 1/20 0.37
HSD11B1 P28845 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36

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
SCHEMBL7963809 1.00 KDM1A (0.45) KDM1AMAOAMAOBOPRM1OPRD1
SCHEMBL7963808 1.00 KDM1A (0.45) KDM1AMAOAMAOBOPRM1OPRD1
SCHEMBL7970904 0.80 OPRM1 (0.38) OPRM1OPRD1OPRK1OPRL1TRPV6
SCHEMBL9999607 0.78 ALDH1A1 (0.44) OPRM1OPRD1OPRK1OPRL1MAPT
SCHEMBL14619610 0.78 ALDH1A1 (0.44) OPRM1OPRD1OPRK1OPRL1MAPT
SCHEMBL7702059 0.77 OPRM1 (0.40) OPRM1OPRD1OPRK1OPRL1TRPV6
SCHEMBL7707357 0.77 OPRM1 (0.40) OPRM1OPRD1OPRK1OPRL1TRPV6
SCHEMBL27814321 0.77 KDM1A (0.51) KDM1AMAOAMAOBDRD4
SCHEMBL7967371 0.76 CCRL2 (0.43) OPRM1OPRD1OPRK1OPRL1DRD4
Hydrochloric Acid SCHEMBL7971161 0.76 OPRM1 (0.40) OPRM1OPRD1OPRK1OPRL1TRPV6

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-6326372-B1 BENIGN PROSTATE HYPERPLASIA MERCK & CO., INC. 2001-12-04 US disclosed