SCHEMBL6162595

SCHEMBL6162595

Cc1[nH]c2ccccc2c1CC(NC(=O)C(C)(C)NC(=O)OC(C)(C)C)C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 17/20 0.51
CYP3A4 P08684 8/20 0.50
RAMP1 O60894 1/20 0.46
CHRM2 P08172 1/20 0.45
CHRM4 P08173 1/20 0.45
CHRM5 P08912 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45
HSD11B1 P28845 1/20 0.45

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
SCHEMBL6162588 1.00 CALCRL (0.51) CALCRLCYP3A4RAMP1CHRM2CHRM4
SCHEMBL8409743 0.88 CALCRL (0.67) CALCRLCYP3A4
SCHEMBL6161840 0.87 CALCRL (0.56) CALCRLCYP3A4RAMP1HSD11B1
SCHEMBL6161834 0.87 CALCRL (0.56) CALCRLCYP3A4RAMP1HSD11B1
SCHEMBL6167139 0.87 CALCRL (0.52) CALCRLCYP3A4RAMP1CHRM2CHRM4
SCHEMBL6167130 0.87 CALCRL (0.52) CALCRLCYP3A4RAMP1CHRM2CHRM4
SCHEMBL6160376 0.87 CALCRL (0.66) CALCRLCYP3A4RAMP1HSD11B1
SCHEMBL6160383 0.87 CALCRL (0.66) CALCRLCYP3A4RAMP1HSD11B1
SCHEMBL6161526 0.86 CALCRL (0.68) CALCRLCYP3A4RAMP1HSD11B1
SCHEMBL6168909 0.86 CALCRL (0.65) CALCRLCYP3A4RAMP1HSD11B1

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