SCHEMBL3960744

SCHEMBL3960744

CN1CCC(C2CCN(C(=O)[C@@H](CC(=O)N3CCC(N4Cc5ccccc5NC4=O)CC3)Cc3ccc(F)c(C(F)(F)F)c3)CC2)CC1

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 20/20 0.60
RAMP1 O60894 1/20 0.60

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
SCHEMBL3962031 1.00 CALCRL (0.60) CALCRLRAMP1
SCHEMBL3958295 0.94 CALCRL (0.69) CALCRLRAMP1
SCHEMBL3958299 0.94 CALCRL (0.69) CALCRLRAMP1
SCHEMBL3307902 0.92 CALCRL (0.65) CALCRLRAMP1
SCHEMBL3961641 0.92 CALCRL (0.61) CALCRLRAMP1
SCHEMBL3961640 0.92 CALCRL (0.61) CALCRLRAMP1
SCHEMBL3959899 0.88 CALCRL (0.56) CALCRLRAMP1
SCHEMBL3958341 0.88 CALCRL (0.60) CALCRLRAMP1
SCHEMBL3958345 0.88 CALCRL (0.60) CALCRLRAMP1
SCHEMBL14016883 0.88 CALCRL (0.67) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2079690-A2 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2009-07-22 EP claimed
EP-1440976-B1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production BOEHRINGER INGELHEIM PHARMA (DE) 2008-07-23 EP claimed
WO-2008038251-A2 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-04-03 WO claimed
EP-1440976-B1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production BOEHRINGER INGELHEIM PHARMA (DE) 2008-07-23 EP disclosed
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