SCHEMBL9684659

SCHEMBL9684659

CC(=O)CC1c2ccccc2CCN1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.57
OPRK1 P41145 6/20 0.57
OPRD1 P41143 1/20 0.55
OPRL1 P41146 1/20 0.53
MTNR1B P49286 1/20 0.51
PRCP P42785 1/20 0.49
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP2C19 P33261 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.43
DRD2 P14416 1/20 0.43
DRD1 P21728 1/20 0.43
SLC6A4 P31645 1/20 0.43

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
SCHEMBL5332110 0.88 OPRM1 (0.57) OPRM1OPRK1OPRD1OPRL1MTNR1B
SCHEMBL4856422 0.84 OPRM1 (0.57) OPRM1OPRK1OPRD1OPRL1MTNR1B
SCHEMBL14559376 0.81 OPRM1 (0.71) OPRM1OPRK1OPRD1OPRL1MTNR1B
SCHEMBL8024199 0.79 PRCP (0.56) OPRM1OPRK1OPRD1OPRL1MTNR1B
SCHEMBL21890121 0.79 PRCP (0.56) OPRM1OPRK1OPRD1OPRL1MTNR1B
SCHEMBL23057928 0.79 PRCP (0.56) OPRM1OPRK1OPRD1OPRL1MTNR1B
Hydrochloric Acid SCHEMBL10640981 0.78 OPRM1 (0.54) OPRM1OPRK1OPRD1OPRL1MTNR1B
SCHEMBL3255532 0.78 PRCP (0.54) OPRM1OPRK1OPRD1OPRL1PRCP
SCHEMBL3245156 0.78 KCNN2 (0.55) OPRM1OPRK1OPRD1OPRL1PRCP
SCHEMBL30952114 0.78 PRCP (0.54) OPRM1OPRK1OPRD1OPRL1MTNR1B

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-5128369-A Antiallergens, bronchodilator agents KYOWA HAKKO KOGYO CO., LTD. (JP) 1992-07-07 US disclosed