SCHEMBL5378575

SCHEMBL5378575

CN1CCN(C2CCN(c3c(Br)cc(C(=O)CCC(=O)N4CCC(N5Cc6ccccc6NC5=O)CC4)cc3Br)CC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 19/20 0.53
CALCA P06881 1/20 0.45

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
SCHEMBL5383956 0.91 CALCRL (0.50) CALCRLCALCA
SCHEMBL5371672 0.91 CALCRL (0.50) CALCRLCALCA
SCHEMBL14401078 0.86 CALCRL (0.58) CALCRL
SCHEMBL5383010 0.86 CALCRL (0.54) CALCRLCALCA
SCHEMBL5371697 0.86 CALCRL (0.59) CALCRLCALCA
SCHEMBL5383149 0.84 CALCRL (0.57) CALCRLCALCA
SCHEMBL5375046 0.83 CALCRL (0.54) CALCRL
SCHEMBL5370250 0.83 CALCRL (0.57) CALCRLCALCA
SCHEMBL5387757 0.82 CALCRL (0.56) CALCRLCALCA
SCHEMBL5378609 0.81 CALCRL (0.54) CALCRLCALCA

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
US-7230001-B1 Arylalkane, arylalkene and aryl azaalkane, medicaments containing said compounds and method for the production thereof BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-06-12 US disclosed