SCHEMBL8275183

SCHEMBL8275183

Nc1ccc(F)cc1N1CCC(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2Cc3ccccc3C2)CC1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ADAM17 P78536 6/20 0.43
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ DPP8 Q6V1X1 6/20 0.37
▸ DPP9 Q86TI2 6/20 0.37
▸ DPP4 P27487 3/20 0.37
▸ NAMPT P43490 3/20 0.37
▸ SCN5A Q14524 1/20 0.37
▸ SCN9A Q15858 1/20 0.37
▸ DPP7 Q9UHL4 5/20 0.37

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
SCHEMBL8274407 0.93 ADAM17 (0.43) ADAM17MEN1KMT2ADPP8DPP9
SCHEMBL8276118 0.93 ADAM17 (0.43) ADAM17MEN1KMT2ADPP8DPP9
SCHEMBL8273765 0.88 ADAM17 (0.43) ADAM17MEN1KMT2ADPP8DPP9
SCHEMBL14494381 0.88 ADAM17 (0.43) ADAM17MEN1KMT2ADPP8DPP9
SCHEMBL8222034 0.87 ADAM17 (0.43) ADAM17MEN1KMT2ADPP8DPP9
SCHEMBL8213656 0.87 ADAM17 (0.54) ADAM17MEN1KMT2ANAMPTSCN5A
SCHEMBL8222661 0.86 ADAM17 (0.53) ADAM17MEN1KMT2ASCN5ASCN9A
SCHEMBL8221017 0.86 ADAM17 (0.42) ADAM17MEN1KMT2ADPP8NAMPT
SCHEMBL8275194 0.85 ADAM17 (0.42) ADAM17MEN1KMT2ANAMPTSCN5A
SCHEMBL8274451 0.84 ADAM17 (0.45) ADAM17MEN1KMT2ADPP8DPP9

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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