SCHEMBL6167130

SCHEMBL6167130

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

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 14/20 0.52
CYP3A4 P08684 6/20 0.52
HSD11B1 P28845 1/20 0.49
RAMP1 O60894 1/20 0.48
CHRM2 P08172 1/20 0.47
CHRM4 P08173 1/20 0.47
CHRM5 P08912 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47
CCR5 P51681 1/20 0.47
PLD1 Q13393 1/20 0.46
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL6167139 1.00 CALCRL (0.52) CALCRLCYP3A4HSD11B1RAMP1CHRM2
SCHEMBL6159686 0.90 CALCRL (0.51) CALCRLCYP3A4HSD11B1RAMP1CHRM2
SCHEMBL6159680 0.90 CALCRL (0.51) CALCRLCYP3A4HSD11B1RAMP1CHRM2
SCHEMBL6168909 0.89 CALCRL (0.65) CALCRLCYP3A4HSD11B1RAMP1
SCHEMBL6168904 0.89 CALCRL (0.65) CALCRLCYP3A4HSD11B1RAMP1
SCHEMBL6162040 0.89 CALCRL (0.52) CALCRLCYP3A4HSD11B1RAMP1CHRM2
SCHEMBL6162035 0.89 CALCRL (0.52) CALCRLCYP3A4HSD11B1RAMP1CHRM2
SCHEMBL6161678 0.88 CALCRL (0.47) CALCRLCYP3A4HSD11B1RAMP1CHRM2
SCHEMBL6161686 0.88 CALCRL (0.47) CALCRLCYP3A4HSD11B1RAMP1CHRM2
SCHEMBL6162595 0.87 CALCRL (0.51) CALCRLCYP3A4HSD11B1RAMP1CHRM2

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