SCHEMBL18315901

SCHEMBL18315901

O=C(NC(Cc1ccc2[nH]ncc2c1)C(=O)N1CCC(N2CCCCC2)CC1)ON1CCC(N2Cc3ccccc3NC2=O)CC1

nearest known ligand 0.84

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 19/20 0.84
CYP3A4 P08684 11/20 0.84

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
SCHEMBL18315922 1.00 CALCRL (0.84) CALCRLCYP3A4
SCHEMBL18315906 0.95 CALCRL (0.75) CALCRLCYP3A4
SCHEMBL18315928 0.91 CALCRL (0.70) CALCRLCYP3A4
SCHEMBL30285310 0.91 CALCRL (1.00) CALCRLCYP3A4
SCHEMBL3757956 0.91 CALCRL (1.00) CALCRLCYP3A4
SCHEMBL3590636 0.91 CALCRL (1.00) CALCRLCYP3A4
SCHEMBL14496716 0.90 CALCRL (0.87) CALCRLCYP3A4
SCHEMBL18315897 0.90 CALCRL (0.71) CALCRLCYP3A4
SCHEMBL18315889 0.89 CALCRL (0.84) CALCRLCYP3A4
SCHEMBL18315919 0.89 CALCRL (0.84) 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