Sugi Predict

Sugi Predict / Compounds / SCHEMBL6686441

SCHEMBL6686441

SCHEMBL6686441

NCCCC[C@H](NC(=O)[C@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)N1CCC(n2cc(-c3cccc(C(F)(F)F)c3)[nH]c2=O)CC1)C(=O)N1CCN(c2ccncc2)CC1

nearest known ligand 0.85

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 20/20 0.85
▸ RAMP1 O60894 8/20 0.69
▸ CALCA P06881 1/20 0.64

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
SCHEMBL3960339 1.00 CALCRL (0.85) CALCRLRAMP1CALCA
SCHEMBL3960179 0.92 CALCRL (1.00) CALCRLRAMP1CALCA
SCHEMBL6678569 0.91 CALCRL (0.70) CALCRLRAMP1CALCA
SCHEMBL3956808 0.88 CALCRL (0.92) CALCRLRAMP1CALCA
SCHEMBL6685799 0.85 CALCRL (0.60) CALCRLRAMP1CALCA
SCHEMBL3961487 0.85 CALCRL (0.60) CALCRLRAMP1CALCA
SCHEMBL3962596 0.83 CALCRL (0.82) CALCRLRAMP1CALCA
SCHEMBL3958399 0.82 CALCRL (1.00) CALCRLRAMP1CALCA
SCHEMBL3961638 0.82 CALCRL (1.00) CALCRLRAMP1CALCA
SCHEMBL3958152 0.82 CALCRL (1.00) CALCRLRAMP1CALCA

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-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2004-07-28 — — EP disclosed