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Sugi Predict / Compounds / SCHEMBL18315907

SCHEMBL18315907

SCHEMBL18315907

O=C(NC(Cc1cc(Cl)c2[nH]c(=O)[nH]c2c1)C(=O)N1CCC(N2CCCCC2)CC1)ON1CCC(N2Cc3ccccc3NC2=O)CC1

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 19/20 0.66
▸ CYP3A4 P08684 15/20 0.66

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
SCHEMBL18315886 0.93 CALCRL (0.65) CALCRLCYP3A4
SCHEMBL18315914 0.92 CYP3A4 (0.65) CALCRLCYP3A4
SCHEMBL3757952 0.91 CALCRL (0.78) CALCRLCYP3A4
SCHEMBL18315905 0.90 CALCRL (0.67) CALCRLCYP3A4
SCHEMBL18315915 0.89 CALCRL (0.84) CALCRLCYP3A4
SCHEMBL18315913 0.88 CALCRL (0.64) CALCRLCYP3A4
SCHEMBL18315889 0.87 CALCRL (0.84) CALCRLCYP3A4
SCHEMBL4717171 0.86 CALCRL (0.64) CALCRLCYP3A4
SCHEMBL18315887 0.84 CALCRL (0.78) CALCRLCYP3A4
SCHEMBL3759498 0.84 CALCRL (0.77) CALCRLCYP3A4

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-1539766-B1 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2016-12-21 — — EP claimed