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SCHEMBL6162035

SCHEMBL6162035

CC(C)(C)OC(=O)NC(C)(C)C(=O)NC(COCc1ccccc1)C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 15/20 0.52
▸ CYP3A4 P08684 7/20 0.49
▸ RAMP1 O60894 1/20 0.47
▸ HSD11B1 P28845 1/20 0.46
▸ CCR5 P51681 1/20 0.44
▸ CHRM2 P08172 1/20 0.44
▸ CHRM4 P08173 1/20 0.44
▸ CHRM5 P08912 1/20 0.44
▸ CHRM1 P11229 1/20 0.44
▸ CHRM3 P20309 1/20 0.44

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
SCHEMBL6162040 1.00 CALCRL (0.52) CALCRLCYP3A4RAMP1HSD11B1CCR5
SCHEMBL6161677 0.92 CALCRL (0.57) CALCRLCYP3A4RAMP1HSD11B1CCR5
SCHEMBL6163802 0.90 CALCRL (0.51) CALCRLCYP3A4RAMP1HSD11B1CCR5
SCHEMBL6159686 0.90 CALCRL (0.51) CALCRLCYP3A4RAMP1HSD11B1CCR5
SCHEMBL6159680 0.90 CALCRL (0.51) CALCRLCYP3A4RAMP1HSD11B1CCR5
SCHEMBL6163808 0.90 CALCRL (0.51) CALCRLCYP3A4RAMP1HSD11B1CCR5
SCHEMBL6167130 0.89 CALCRL (0.52) CALCRLCYP3A4RAMP1HSD11B1CCR5
SCHEMBL6167139 0.89 CALCRL (0.52) CALCRLCYP3A4RAMP1HSD11B1CCR5
SCHEMBL6159897 0.88 CALCRL (0.59) CALCRLCYP3A4RAMP1
SCHEMBL6159892 0.88 CALCRL (0.59) CALCRLCYP3A4RAMP1

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