SCHEMBL9816191

SCHEMBL9816191

CCOC(=O)C(C)N1CCC(=C(c2ccccc2)c2ccc(F)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
OPRD1 P41143 5/20 0.46
OPRK1 P41145 2/20 0.44
OPRM1 P35372 3/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
DGKA P23743 1/20 0.43
CYP2C19 P33261 1/20 0.43
HSD17B10 Q99714 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
SCHEMBL9632061 0.77 OPRD1 (0.50) DRD2DRD4HTR2AHTR2CHTR2B
SCHEMBL16481505 0.76 OPRD1 (0.54) DRD2DRD4HTR2AHTR2CHTR2B
SCHEMBL4693977 0.74 TSHR (0.57) OPRD1OPRK1KDM4EALDH1A1LMNA
SCHEMBL5496259 0.73 OPRM1 (0.52) DRD2DRD4HTR2AHTR2CHTR2B
SCHEMBL9632474 0.73 ALDH1A1 (0.49) KDM4EALDH1A1LMNAMAPTTSHR
SCHEMBL9630285 0.73 OPRM1 (0.44) DRD2DRD4HTR2AHTR2COPRD1
SCHEMBL10601711 0.72 OPRM1 (0.60) DRD2DRD4HTR2AHTR2CHTR2B
SCHEMBL11643619 0.72 POLB (0.43) TSHRRAD52
SCHEMBL5492164 0.72 TSHR (0.51) OPRD1OPRK1KDM4EALDH1A1LMNA
SCHEMBL9632594 0.71 OPRD1 (0.41) DRD2DRD4HTR2AHTR2CHTR2B

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
JP-3133956-A None JP disclosed
JP-H03133956-A PIPERIDINE DERIVATIVE HOKURIKU SEIYAKU CO LTD 1991-06-07 JP disclosed