SCHEMBL8274427

SCHEMBL8274427

NC1=CCCC=C1N1CCC2(CC1)CC2NC(=O)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ADAM17 P78536 4/20 0.37
▸ SCN9A Q15858 4/20 0.34
▸ DPP4 P27487 4/20 0.32
▸ DPP7 Q9UHL4 6/20 0.32
▸ DPP8 Q6V1X1 6/20 0.32
▸ DPP9 Q86TI2 4/20 0.32
▸ HDAC8 Q9BY41 2/20 0.31
▸ CNR2 P34972 1/20 0.30

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
SCHEMBL8275482 0.84 ADAM17 (0.38) ADAM17SCN9ADPP4DPP7DPP8
SCHEMBL16357103 0.79 NAMPT (0.43) ADAM17SCN9A
SCHEMBL8217853 0.79 NAMPT (0.43) ADAM17SCN9A
SCHEMBL8273448 0.70 TSHR (0.40) SCN9A
SCHEMBL8273371 0.64 ADAM17 (0.54) ADAM17DPP4DPP7DPP8DPP9
SCHEMBL8213223 0.62 PSEN1 (0.47) ADAM17
SCHEMBL8217765 0.62 PSEN1 (0.47) ADAM17
SCHEMBL8273446 0.62 ADAM17 (0.38) ADAM17DPP4DPP7DPP8DPP9
SCHEMBL8221648 0.62 ADAM17 (0.47) ADAM17DPP4DPP7DPP8DPP9
SCHEMBL8274476 0.62 DPP8 (0.53) ADAM17DPP4DPP7DPP8DPP9

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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