SCHEMBL16357703

SCHEMBL16357703

N#Cc1cc(F)ccc1N1CCC(CNC(=O)C(O)[C@@H](O)C(=O)N2CCc3cccnc3C2)CC1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADAM17 P78536 6/20 0.45
▸ CHRM4 P08173 6/20 0.42
▸ LDHA P00338 1/20 0.39
▸ NAMPT P43490 3/20 0.37
▸ GPR6 P46095 3/20 0.35
▸ SCN5A Q14524 1/20 0.34
▸ SCN9A Q15858 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
SCHEMBL8214415 0.94 ADAM17 (0.46) ADAM17CHRM4LDHANAMPTGPR6
SCHEMBL8222661 0.86 ADAM17 (0.53) ADAM17CHRM4SCN5ASCN9A
SCHEMBL8214329 0.84 ADAM17 (0.44) ADAM17CHRM4
SCHEMBL8275981 0.83 NAMPT (0.42) ADAM17NAMPT
SCHEMBL8221438 0.82 ADAM17 (0.53) ADAM17CHRM4SCN5ASCN9A
SCHEMBL8221453 0.82 ADAM17 (0.53) ADAM17CHRM4SCN5ASCN9A
SCHEMBL8273348 0.82 ADAM17 (0.53) ADAM17CHRM4SCN5ASCN9A
SCHEMBL8214539 0.82 ADAM17 (0.45) ADAM17CHRM4NAMPT
SCHEMBL8221817 0.81 ADAM17 (0.43) ADAM17CHRM4GPR6
SCHEMBL8213698 0.81 ADAM17 (0.53) ADAM17CHRM4SCN5ASCN9A

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
WO-2007064749-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS AND MICROBIAL DISEASES SCHERING CORPORATION (US) 2007-06-07 — — WO disclosed
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