SCHEMBL7970904

SCHEMBL7970904

O=N[C@@H]1CCN([C@H]2CC[C@H](c3ccccn3)CC2)C1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
OPRL1 P41146 1/20 0.38
TRPV6 Q9H1D0 1/20 0.38
HSD11B1 P28845 1/20 0.37
CCRL2 O00421 1/20 0.36
CCR2 P41597 1/20 0.36
KCNH2 Q12809 1/20 0.36
DRD4 P21917 2/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SPR P35270 1/20 0.35
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35

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
SCHEMBL7963807 0.80 KDM1A (0.45) OPRM1OPRD1OPRK1OPRL1TRPV6
SCHEMBL7963808 0.80 KDM1A (0.45) OPRM1OPRD1OPRK1OPRL1TRPV6
SCHEMBL7963809 0.80 KDM1A (0.45) OPRM1OPRD1OPRK1OPRL1TRPV6
SCHEMBL7967371 0.73 CCRL2 (0.43) OPRM1OPRD1OPRK1OPRL1HSD11B1
SCHEMBL900225 0.72
SCHEMBL659325 0.72 KDM4E (0.48) OPRM1OPRD1OPRK1OPRL1HSD11B1
SCHEMBL29448519 0.72
Hydrochloric Acid SCHEMBL7971160 0.72 CCRL2 (0.43) OPRM1OPRD1OPRK1OPRL1HSD11B1
SCHEMBL7702059 0.71 OPRM1 (0.40) OPRM1OPRD1OPRK1OPRL1TRPV6
SCHEMBL7707357 0.71 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6255315-B1 BENIGN PROSTATIC HYPERPLASIA MERCK & CO., INC. 2001-07-03 US disclosed
US-6037354-A ADMINISTERING PHENYL-SUBSTITUTED THIAZOLIDIN-4-ONE OR OXAZOLIDIN-2-ONE DERIVATIVE TO TREAT BENIGN PROSTATE HYPERPLASIA; SIDE EFFECT REDUCTION MERCK & CO., INC. (US) 2000-03-14 US disclosed