SCHEMBL4610022

SCHEMBL4610022

O=C(N[C@H](Cc1cc(Br)c(O)c(Br)c1)C(=O)N1CCC(c2ccncc2)CC1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 20/20 0.76
RAMP1 O60894 5/20 0.76
CYP3A4 P08684 5/20 0.76

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
SCHEMBL3962053 1.00 CALCRL (0.76) CALCRLRAMP1CYP3A4
SCHEMBL3957978 0.93 CALCRL (0.66) CALCRLRAMP1CYP3A4
SCHEMBL3964593 0.93 CALCRL (0.65) CALCRLRAMP1CYP3A4
SCHEMBL3954251 0.92 CALCRL (0.90) CALCRLRAMP1CYP3A4
SCHEMBL3964679 0.92 CALCRL (0.89) CALCRLRAMP1CYP3A4
SCHEMBL3957653 0.91 CALCRL (0.63) CALCRLRAMP1CYP3A4
SCHEMBL3960470 0.91 CALCRL (0.62) CALCRLRAMP1CYP3A4
SCHEMBL7831849 0.90 CALCRL (0.87) CALCRLRAMP1CYP3A4
SCHEMBL3960190 0.90 CALCRL (0.64) CALCRLRAMP1CYP3A4
SCHEMBL3958305 0.89 CALCRL (0.60) CALCRLRAMP1CYP3A4

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