SCHEMBL4606878

SCHEMBL4606878

Nc1c(Br)cc(C[C@@H](NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)N2CCN(c3ccncc3)CC2)cc1Br

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 19/20 0.76
RAMP1 O60894 3/20 0.76
CALCA P06881 2/20 0.76
CYP3A4 P08684 13/20 0.61

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
SCHEMBL3962139 0.94 CALCRL (0.82) CALCRLRAMP1CALCACYP3A4
SCHEMBL3965389 0.93 CALCRL (0.66) CALCRLRAMP1CALCACYP3A4
SCHEMBL3961715 0.92 CALCRL (0.66) CALCRLRAMP1CALCACYP3A4
SCHEMBL3960356 0.92 CALCRL (0.65) CALCRLRAMP1CALCACYP3A4
SCHEMBL3960012 0.91 CALCRL (0.92) CALCRLRAMP1CALCA
SCHEMBL3967409 0.91 CALCRL (0.64) CALCRLRAMP1CALCACYP3A4
SCHEMBL3964452 0.91 CALCRL (0.64) CALCRLRAMP1CALCACYP3A4
SCHEMBL3964325 0.90 CALCRL (0.64) CALCRLRAMP1CALCACYP3A4
SCHEMBL3310946 0.90 CALCRL (0.70) CALCRLRAMP1CALCACYP3A4
SCHEMBL3964668 0.90 CALCRL (0.81) CALCRLRAMP1CALCACYP3A4

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-1440976-B1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production BOEHRINGER INGELHEIM PHARMA (DE) 2008-07-23 EP claimed