SCHEMBL6161526

SCHEMBL6161526

Cn1cc(CC(NC(=O)C(C)(C)NC(=O)OC(C)(C)C)C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)c2ccccc21

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 17/20 0.68
CYP3A4 P08684 8/20 0.68
RAMP1 O60894 1/20 0.45
HSD11B1 P28845 1/20 0.44
CCR5 P51681 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
SCHEMBL8409743 0.90 CALCRL (0.67) CALCRLCYP3A4
SCHEMBL6160376 0.89 CALCRL (0.66) CALCRLCYP3A4RAMP1HSD11B1
SCHEMBL6160383 0.89 CALCRL (0.66) CALCRLCYP3A4RAMP1HSD11B1
SCHEMBL6166567 0.88 CALCRL (0.77) CALCRLCYP3A4RAMP1HSD11B1
SCHEMBL6165522 0.88 CALCRL (0.68) CALCRLCYP3A4
SCHEMBL6165527 0.88 CALCRL (0.68) CALCRLCYP3A4
Hydrochloric Acid SCHEMBL6162320 0.87 CALCRL (0.76) CALCRLCYP3A4RAMP1HSD11B1
SCHEMBL6162588 0.86 CALCRL (0.51) CALCRLCYP3A4RAMP1HSD11B1
SCHEMBL6162595 0.86 CALCRL (0.51) CALCRLCYP3A4RAMP1HSD11B1
SCHEMBL6168909 0.85 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