SCHEMBL6162765

SCHEMBL6162765

CC(C)(C)OC(=O)NC1(C(=O)NC(COCc2ccccc2)C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CCCC1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 17/20 0.51
CYP3A4 P08684 9/20 0.49
CCR5 P51681 1/20 0.45
RAMP1 O60894 1/20 0.44
HSD11B1 P28845 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
SCHEMBL6162769 1.00 CALCRL (0.51) CALCRLCYP3A4CCR5RAMP1HSD11B1
SCHEMBL6160795 0.97 CALCRL (0.51) CALCRLCYP3A4CCR5RAMP1HSD11B1
SCHEMBL6160802 0.97 CALCRL (0.51) CALCRLCYP3A4CCR5RAMP1HSD11B1
SCHEMBL6161677 0.89 CALCRL (0.57) CALCRLCYP3A4CCR5RAMP1HSD11B1
SCHEMBL6162035 0.85 CALCRL (0.52) CALCRLCYP3A4CCR5RAMP1HSD11B1
SCHEMBL6162040 0.85 CALCRL (0.52) CALCRLCYP3A4CCR5RAMP1HSD11B1
SCHEMBL6163808 0.84 CALCRL (0.51) CALCRLCYP3A4CCR5RAMP1HSD11B1
SCHEMBL6163802 0.84 CALCRL (0.51) CALCRLCYP3A4CCR5RAMP1HSD11B1
SCHEMBL6163603 0.82 CALCRL (0.59) CALCRLCYP3A4RAMP1HSD11B1
SCHEMBL6161636 0.82 CALCRL (0.59) 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 1 patent. 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