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SCHEMBL6223333

SCHEMBL6223333

Nc1c(Cl)cc(CC(CC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)[N+]2(C3CCNCC3)CCCCC2)cc1C(F)(F)F

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 20/20 0.60
▸ RAMP1 O60894 1/20 0.60
▸ CYP3A4 P08684 2/20 0.42

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
SCHEMBL6221733 0.94 CALCRL (0.68) CALCRLRAMP1CYP3A4
SCHEMBL6221171 0.90 CALCRL (0.61) CALCRLRAMP1CYP3A4
SCHEMBL6222208 0.88 CALCRL (0.62) CALCRLRAMP1CYP3A4
SCHEMBL6221778 0.88 CALCRL (0.59) CALCRLRAMP1CYP3A4
SCHEMBL14017079 0.86 CALCRL (0.72) CALCRLRAMP1CYP3A4
SCHEMBL3307004 0.85 CALCRL (0.70) CALCRLRAMP1CYP3A4
SCHEMBL3309876 0.85 CALCRL (0.70) CALCRLRAMP1CYP3A4
SCHEMBL14017060 0.85 CALCRL (0.78) CALCRLRAMP1CYP3A4
SCHEMBL4720735 0.85 CALCRL (0.55) CALCRL
SCHEMBL14017061 0.85 CALCRL (0.78) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1558600-A1 SELECTED CGRP ANTAGONISTS, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-08-03 — — EP disclosed
WO-2004037810-A1 SELECTED CGRP ANTAGONISTS, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-05-06 — — WO disclosed