SCHEMBL5261583

SCHEMBL5261583

Nc1c(Br)cc(C[C@@H](NC(=O)ON2CCC(N3CCc4ccccc4NC3=O)CC2)C(=O)Nc2ccccc2NCc2ccccc2)cc1Br

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CALCA P06881 2/20 0.42
CALCRL Q16602 18/20 0.39
CYP3A4 P08684 7/20 0.39
RAMP1 O60894 6/20 0.38
CTSB P07858 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34

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
SCHEMBL5256857 0.93 CALCRL (0.40) CALCACALCRLCYP3A4RAMP1CTSB
SCHEMBL5260143 0.91 CALCA (0.45) CALCACALCRLCYP3A4RAMP1
SCHEMBL5258039 0.91 CALCA (0.44) CALCACALCRLCYP3A4RAMP1
SCHEMBL5257817 0.90 CALCA (0.42) CALCACALCRLCYP3A4RAMP1
SCHEMBL3871116 0.90 CALCA (0.53) CALCACALCRLCYP3A4RAMP1
SCHEMBL5260681 0.90 CALCA (0.46) CALCACALCRLCYP3A4RAMP1
SCHEMBL5261246 0.90 CALCA (0.42) CALCACALCRLCYP3A4RAMP1
SCHEMBL5256292 0.89 CALCA (0.45) CALCACALCRLCYP3A4RAMP1
SCHEMBL5259634 0.89 CALCA (0.39) CALCACALCRLCYP3A4RAMP1
SCHEMBL3874855 0.83 CALCA (0.49) CALCACALCRLCYP3A4RAMP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1487821-B1 BENZODIAZEPINE-SUBSTITUTED PIPERIDINES FOR UTILIZATION IN THE TREATMENT OF CARDIOVASCULAR DISEASES BOEHRINGER INGELHEIM PHARMA (DE) 2007-03-21 EP disclosed
EP-1487821-A1 BENZODIAZEPINE-SUBSTITUTED PIPERIDINES FOR UTILIZATION IN THE TREATMENT OF CARDIOVASCULAR DISEASES Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2004-12-22 EP disclosed
WO-2003076432-A1 BENZODIAZEPINE-SUBSTITUTED PIPERIDINES FOR UTILIZATION IN THE TREATMENT OF CARDIOVASCULAR DISEASES BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-09-18 WO disclosed