SCHEMBL4719237

SCHEMBL4719237

CCNc1cc(-c2cc(C)cc(-c3cnco3)c2)nn(-c2cc(N3CCCOC3=O)ccc2C(F)(F)F)c1=O

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 2/20 0.31
NTRK1 P04629 1/20 0.31

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
SCHEMBL4724965 0.90 FFAR1 (0.33)
SCHEMBL4724185 0.90 F10 (0.32)
SCHEMBL4724962 0.89 JAK3 (0.33)
SCHEMBL4724817 0.88 F10 (0.33) CMA1NTRK1
SCHEMBL4721381 0.87 IMPDH2 (0.34)
SCHEMBL4720659 0.86 PTK2 (0.31)
SCHEMBL4720665 0.86 PTK2 (0.31)
SCHEMBL4723056 0.85 LMNA (0.32)
SCHEMBL4718681 0.84
SCHEMBL4719688 0.84 GHSR (0.31)

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-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 EP disclosed