SCHEMBL6164957

SCHEMBL6164957

N[C@H](CC(=O)OCc1ccccc1)C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 6/20 0.54
CHRM2 P08172 2/20 0.54
CHRM4 P08173 2/20 0.54
CHRM5 P08912 2/20 0.54
CHRM1 P11229 2/20 0.54
CHRM3 P20309 2/20 0.54
OPRM1 P35372 2/20 0.53
OPRK1 P41145 2/20 0.53
OPRL1 P41146 2/20 0.53
CYP3A4 P08684 2/20 0.50
PLD1 Q13393 1/20 0.50
HSD11B1 P28845 3/20 0.49
HTR1A P08908 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
TACR2 P21452 1/20 0.49
DRD1 P21728 1/20 0.49
DRD5 P21918 1/20 0.49
SLC6A2 P23975 1/20 0.49
ADRA1D P25100 1/20 0.49
HTR1B P28222 1/20 0.49

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
SCHEMBL6164964 1.00 CALCRL (0.54) CALCRLCHRM2CHRM4CHRM5CHRM1
SCHEMBL6161647 0.87 CALCRL (0.56) CALCRLCHRM2CHRM4CHRM5CHRM1
SCHEMBL6161231 0.87 CALCRL (0.56) CALCRLCHRM2CHRM4CHRM5CHRM1
SCHEMBL3635261 0.83 CHRM1 (0.72) CALCRLCHRM2CHRM4CHRM5CHRM1
Trifluoroacetic Acid SCHEMBL6161823 0.82 CALCRL (0.53) CALCRLCHRM2CHRM4CHRM5CHRM1
Trifluoroacetic Acid SCHEMBL6162047 0.82 CALCRL (0.53) CALCRLCHRM2CHRM4CHRM5CHRM1
SCHEMBL6165662 0.82 CALCRL (0.55) CALCRLCHRM2CHRM4CHRM5CHRM1
SCHEMBL6165656 0.82 CALCRL (0.55) CALCRLCHRM2CHRM4CHRM5CHRM1
SCHEMBL8863501 0.80 CHRM1 (0.79) CALCRLCHRM2CHRM4CHRM5CHRM1
SCHEMBL22716847 0.79 CHRM1 (0.63) CALCRLCHRM2CHRM4CHRM5CHRM1

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-0828754-B1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER (US) 2005-02-02 EP disclosed
US-5936089-A PIPERIDINE DERIVATIVES; BONE DISORDERS; OBESITY; AGING; CACHEXIA ASSOCIATED WITH AIDS AND CANCER PFIZER INC (US) 1999-08-10 US disclosed