SCHEMBL8412927

SCHEMBL8412927

CC(C)(NC(=O)O)C(=O)NC(C=O)(CCCc1ccccc1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.46
OPRK1 P41145 1/20 0.46
OPRL1 P41146 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
PMP22 Q01453 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HSD11B1 P28845 4/20 0.45
PLD2 O14939 3/20 0.45
PLD1 Q13393 3/20 0.44
CHRM1 P11229 2/20 0.43
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM5 P08912 1/20 0.43
CHRM3 P20309 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CALCRL Q16602 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
SCHEMBL6161025 0.79 CALCRL (0.56) HSD11B1CHRM1CHRM2CHRM4CHRM5
SCHEMBL6161030 0.79 CALCRL (0.56) HSD11B1CHRM1CHRM2CHRM4CHRM5
SCHEMBL8409763 0.75 OPRM1 (0.40) OPRM1OPRK1OPRL1
SCHEMBL7491407 0.75 OPRM1 (0.63) OPRM1OPRK1OPRL1KDM4EALDH1A1
SCHEMBL7489071 0.71 OPRM1 (0.65) OPRM1OPRK1OPRL1KDM4EALDH1A1
SCHEMBL6164868 0.71 CALCRL (0.60) HSD11B1CALCRL
SCHEMBL6164873 0.71 CALCRL (0.60) HSD11B1CALCRL
SCHEMBL8409918 0.71 HSD11B1 (0.45) OPRM1KDM4EALDH1A1PMP22NPSR1
Hydrochloric Acid SCHEMBL6165220 0.70 CALCRL (0.59) HSD11B1CALCRL
Hydrochloric Acid SCHEMBL6162663 0.70 CALCRL (0.59) HSD11B1CALCRL

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-5936089-A PIPERIDINE DERIVATIVES; BONE DISORDERS; OBESITY; AGING; CACHEXIA ASSOCIATED WITH AIDS AND CANCER PFIZER INC (US) 1999-08-10 US disclosed