SCHEMBL6161686

SCHEMBL6161686

CC(C)(C)OC(=O)NC(C)(C)C(=O)NC(CC(=O)N1CCc2ccccc2C1)C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 15/20 0.47
CYP3A4 P08684 6/20 0.47
HSD11B1 P28845 1/20 0.44
PLD1 Q13393 2/20 0.43
PLD2 O14939 1/20 0.43
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM5 P08912 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
RAMP1 O60894 1/20 0.42
OPRK1 P41145 1/20 0.41

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
SCHEMBL6161678 1.00 CALCRL (0.47) CALCRLCYP3A4HSD11B1PLD1PLD2
SCHEMBL6163749 0.88 CALCRL (0.53) CALCRLCYP3A4HSD11B1PLD1PLD2
SCHEMBL6162348 0.88 CALCRL (0.53) CALCRLCYP3A4HSD11B1PLD1PLD2
SCHEMBL6167130 0.88 CALCRL (0.52) CALCRLCYP3A4HSD11B1PLD1CHRM2
SCHEMBL6167139 0.88 CALCRL (0.52) CALCRLCYP3A4HSD11B1PLD1CHRM2
SCHEMBL6159686 0.83 CALCRL (0.51) CALCRLCYP3A4HSD11B1CHRM2CHRM4
SCHEMBL6159680 0.83 CALCRL (0.51) CALCRLCYP3A4HSD11B1CHRM2CHRM4
SCHEMBL6168904 0.82 CALCRL (0.65) CALCRLCYP3A4HSD11B1RAMP1
SCHEMBL6168909 0.82 CALCRL (0.65) CALCRLCYP3A4HSD11B1RAMP1
SCHEMBL6162588 0.82 CALCRL (0.51) CALCRLCYP3A4HSD11B1CHRM2CHRM4

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