SCHEMBL8274447

SCHEMBL8274447

C=C([C@H](O)C(O)C(=O)NCC1CCN(c2cc(F)ccc2C#N)CC1)N1Cc2ccccc2C1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ADAM17 P78536 4/20 0.49
▸ FFAR4 Q5NUL3 1/20 0.43
▸ CHRM4 P08173 4/20 0.41
▸ NAMPT P43490 6/20 0.37
▸ SCN5A Q14524 2/20 0.36
▸ SCN9A Q15858 2/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ MTOR P42345 1/20 0.35
▸ RPTOR Q8N122 1/20 0.35
▸ MLST8 Q9BVC4 1/20 0.35

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
SCHEMBL8275760 0.94 ADAM17 (0.48) ADAM17FFAR4CHRM4NAMPTSCN5A
SCHEMBL8213656 0.92 ADAM17 (0.54) ADAM17FFAR4CHRM4NAMPTSCN5A
SCHEMBL8222661 0.85 ADAM17 (0.53) ADAM17FFAR4CHRM4SCN5ASCN9A
SCHEMBL8274846 0.81 ADAM17 (0.61) ADAM17CHRM4NAMPTMEN1KMT2A
SCHEMBL8273353 0.81 ADAM17 (0.61) ADAM17CHRM4NAMPTMEN1KMT2A
SCHEMBL8275183 0.78 ADAM17 (0.43) ADAM17NAMPTSCN5ASCN9AMEN1
SCHEMBL8213653 0.78 CHRM4 (0.49) ADAM17CHRM4
SCHEMBL14494381 0.77 ADAM17 (0.43) ADAM17CHRM4NAMPTSCN5ASCN9A
SCHEMBL8273765 0.77 ADAM17 (0.43) ADAM17CHRM4NAMPTSCN5ASCN9A
SCHEMBL8221026 0.77 ADAM17 (0.51) ADAM17CHRM4NAMPTMEN1KMT2A

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-2005121130-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION (US) 2005-12-22 — — WO disclosed
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