SCHEMBL6159897

SCHEMBL6159897

CC(C)(C)OC(=O)NC(C)(C)C(=O)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 15/20 0.59
CYP3A4 P08684 7/20 0.56
RAMP1 O60894 1/20 0.51
YAP1 P46937 2/20 0.48
ALDH1A1 P00352 1/20 0.47
ACE P12821 1/20 0.47

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
SCHEMBL6159892 1.00 CALCRL (0.59) CALCRLCYP3A4RAMP1YAP1ALDH1A1
SCHEMBL6168909 0.92 CALCRL (0.65) CALCRLCYP3A4RAMP1
SCHEMBL6168904 0.92 CALCRL (0.65) CALCRLCYP3A4RAMP1
SCHEMBL6161461 0.88 CALCRL (0.66) CALCRLCYP3A4RAMP1
SCHEMBL6161465 0.88 CALCRL (0.66) CALCRLCYP3A4RAMP1
SCHEMBL6162035 0.88 CALCRL (0.52) CALCRLCYP3A4RAMP1
SCHEMBL6162040 0.88 CALCRL (0.52) CALCRLCYP3A4RAMP1
SCHEMBL6159680 0.87 CALCRL (0.51) CALCRLCYP3A4RAMP1
SCHEMBL6159686 0.87 CALCRL (0.51) CALCRLCYP3A4RAMP1
SCHEMBL6167139 0.85 CALCRL (0.52) CALCRLCYP3A4RAMP1ALDH1A1

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