SCHEMBL14036375

SCHEMBL14036375

Bc1cc(C[C@@H](OC(=O)N2CCC(N3CCc4ccccc4NC3=O)CC2)C(=O)N2CCC(C3CCN(CCC(=O)OCC)CC3)CC2)cc(B)c1O

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 19/20 0.61
RAMP1 O60894 2/20 0.61
CHRM4 P08173 1/20 0.37
CHRM1 P11229 1/20 0.37

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
SCHEMBL14017753 0.97 CALCRL (0.65) CALCRLRAMP1
SCHEMBL14017716 0.94 CALCRL (0.57) CALCRLRAMP1CHRM4CHRM1
SCHEMBL2086470 0.94 CALCRL (0.71) CALCRLRAMP1
SCHEMBL2165957 0.92 CALCRL (0.61) CALCRLRAMP1
SCHEMBL14016500 0.91 CALCRL (0.70) CALCRLRAMP1
SCHEMBL14036280 0.91 CALCRL (0.62) CALCRLRAMP1
SCHEMBL12882729 0.91 CALCRL (0.67) CALCRLRAMP1
SCHEMBL14036160 0.90 CALCRL (0.63) CALCRLRAMP1
SCHEMBL14036238 0.89 CALCRL (0.60) CALCRLRAMP1
SCHEMBL14036102 0.89 CALCRL (0.61) CALCRLRAMP1

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-1992349-A1 CGRP antagonists, their preparation and use as a medicament Boehringer Ingelheim International GmbH (DE) 2008-11-19 EP disclosed