SCHEMBL8208910

SCHEMBL8208910

CN(CCc1ccccn1)C1CCC(C(C(N)=O)(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.46
OPRK1 P41145 2/20 0.43
CHRM2 P08172 2/20 0.43
CHRM4 P08173 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
HIF1A Q16665 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
POLB P06746 1/20 0.40
KDM4E B2RXH2 7/20 0.40
ALDH1A1 P00352 5/20 0.39
TDP1 Q9NUW8 3/20 0.37
MAPT P10636 1/20 0.37
CYP3A4 P08684 2/20 0.36
SLC22A2 O15244 1/20 0.36
SLC22A1 O15245 1/20 0.36
PGR P06401 1/20 0.36
THRB P10828 1/20 0.36
ADRB3 P13945 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
SCHEMBL8206102 0.90 MCHR1 (0.41) HSD11B1OPRK1CHRM2KDM4EALDH1A1
SCHEMBL8206446 0.86 OPRM1 (0.38) HSD11B1OPRK1CHRM2CHRM4OPRM1
SCHEMBL8199247 0.85 AGTR2 (0.42) OPRK1CHRM2CHRM4OPRM1KCNH2
SCHEMBL8209731 0.81 HRH1 (0.39) OPRK1CHRM2CHRM4OPRM1KCNH2
SCHEMBL8199191 0.81 CHRM2 (0.38) OPRK1CHRM2CHRM4OPRM1KCNH2
SCHEMBL8197961 0.81 OPRM1 (0.38) OPRK1CHRM2CHRM4OPRM1OPRD1
Hydrochloric Acid SCHEMBL8209836 0.81 AGTR2 (0.47) OPRK1OPRM1OPRD1
SCHEMBL8207086 0.80 AOC3 (0.40) HSD11B1OPRK1CHRM2CHRM4OPRM1
SCHEMBL8205356 0.80 CHIT1 (0.41) OPRK1CHRM2CHRM4OPRM1MEN1
SCHEMBL8199092 0.80 KMT2A (0.40) OPRK1CHRM2CHRM4OPRM1MEN1

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
EP-0999205-A1 AMINOCYCLOALKANE COMPOUNDS Mitsubishi-Tokyo Pharmaceuticals, Inc. (JP) 2000-05-10 EP claimed
EP-0999205-A1 AMINOCYCLOALKANE COMPOUNDS Mitsubishi-Tokyo Pharmaceuticals, Inc. (JP) 2000-05-10 EP disclosed