SCHEMBL9494403

SCHEMBL9494403

CN1C(=O)N(c2ccccc2)C2(CCN(Cc3ccccc3)CC2)C1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 5/20 0.53
OPRM1 P35372 4/20 0.53
OPRD1 P41143 3/20 0.53
OPRK1 P41145 3/20 0.53
BACE1 P56817 1/20 0.50
MCHR1 Q99705 3/20 0.49
ENPP2 Q13822 2/20 0.48
CYP3A4 P08684 1/20 0.46
HSD17B10 Q99714 1/20 0.46
SIGMAR1 Q99720 4/20 0.45
MC4R P32245 1/20 0.45
CYP2D6 P10635 1/20 0.45
DRD4 P21917 1/20 0.44
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
GRIN3A Q8TCU5 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
SCHEMBL9495702 0.83 BDKRB2 (0.47) OPRL1OPRM1OPRD1OPRK1ENPP2
SCHEMBL14560586 0.83 MCHR1 (0.53) OPRL1OPRM1OPRD1OPRK1BACE1
SCHEMBL18961832 0.79 ENPP2 (0.43) OPRL1OPRM1OPRD1ENPP2SIGMAR1
SCHEMBL8809939 0.78 MCHR1 (0.54) OPRL1OPRM1OPRD1OPRK1BACE1
SCHEMBL9495770 0.77 MCHR1 (0.65) OPRL1OPRM1OPRD1OPRK1BACE1
SCHEMBL10734152 0.76 DRD2 (0.65) OPRL1OPRM1OPRD1OPRK1CYP3A4
SCHEMBL9495219 0.76 HSD17B10 (0.49) OPRM1ENPP2CYP3A4HSD17B10SIGMAR1
SCHEMBL2993642 0.76 OPRL1 (0.55) OPRL1OPRM1OPRD1OPRK1BACE1
Hydrochloric Acid SCHEMBL9494287 0.75 HSD17B10 (0.48) OPRM1ENPP2CYP3A4HSD17B10SIGMAR1
SCHEMBL10148844 0.75 BACE1 (0.60) OPRL1OPRM1OPRD1OPRK1BACE1

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-5221675-A Aza-spirocyclic compounds that enhance cholinergic neurotransmission ABBOTT LABORATORIES (US) 1993-06-22 US disclosed