SCHEMBL7961073

SCHEMBL7961073

O=C(Cn1c(-c2ccccc2)ncc(CNC(=O)c2ccccn2)c1=O)NC(Cc1ccccc1)C(=O)C(=O)CCCOc1ccccn1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 19/20 0.45
CTRC Q99895 14/20 0.45
CTSG P08311 1/20 0.41

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
SCHEMBL7950471 0.91 CMA1 (0.45) CMA1CTRC
SCHEMBL6708761 0.89 CMA1 (0.46) CMA1CTRC
SCHEMBL7960975 0.88 CMA1 (0.43) CMA1CTRC
SCHEMBL7961182 0.88 CMA1 (0.46) CMA1CTRCCTSG
SCHEMBL7965669 0.87 CMA1 (0.42) CMA1CTRC
SCHEMBL7962194 0.87 CMA1 (0.44) CMA1CTRCCTSG
SCHEMBL7962870 0.87 CMA1 (0.44) CMA1CTRC
SCHEMBL7951397 0.85 CMA1 (0.45) CMA1CTRC
SCHEMBL6706856 0.85 CMA1 (0.58) CMA1CTRC
Hydrochloric Acid SCHEMBL7566410 0.84 CMA1 (0.57) CMA1CTRC

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-6300337-B1 Acetamide derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2001-10-09 US disclosed