SCHEMBL4264723

SCHEMBL4264723

c1c[nH]c(-c2ccc(C34CCCN(CC3)C4)cn2)n1.c1cn(-c2ccc(C34CCCN(CC3)C4)cn2)cn1

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.39
HCRTR2 O43614 1/20 0.34
PIM1 P11309 1/20 0.30

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
SCHEMBL1483681 0.87 ALOX5AP (0.40) ALOX5APHCRTR2PIM1
SCHEMBL1483313 0.87 ROCK1 (0.36)
Hydrochloric Acid SCHEMBL1484299 0.86 ROCK1 (0.35)
SCHEMBL2818737 0.71 ROCK1 (0.33)
SCHEMBL4460733 0.70 KDR (0.33) ALOX5AP
SCHEMBL5216499 0.70 ALOX5AP (0.38) ALOX5APHCRTR2
Bromide SCHEMBL667967 0.70 ROCK2 (0.33)
SCHEMBL667704 0.69 MAPT (0.38)
Bromide SCHEMBL4477940 0.69 ALOX5AP (0.37) ALOX5APHCRTR2
SCHEMBL1483337 0.69

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-1915375-B1 DERIVATIVES OF 5-PYRIDINYL-1-AZABICYCLO[3.2.1]OCTANE, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI AVENTIS (FR) 2009-10-07 EP disclosed