SCHEMBL8275600

SCHEMBL8275600

Nc1ccccc1N1CCC(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2Cc3ccccc3C2)C1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ADAM17 P78536 11/20 0.45
▸ NAMPT P43490 4/20 0.40
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ADAM10 O14672 1/20 0.36
▸ MMP12 P39900 1/20 0.36
▸ MMP13 P45452 1/20 0.36
▸ DPP8 Q6V1X1 3/20 0.36
▸ DPP9 Q86TI2 3/20 0.36
▸ DPP7 Q9UHL4 3/20 0.36
▸ DPP4 P27487 2/20 0.36

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
SCHEMBL8273361 0.87 ADAM17 (0.54) ADAM17NAMPTMEN1KMT2AADAM10
SCHEMBL8273441 0.87 ADAM17 (0.54) ADAM17NAMPTMEN1KMT2AADAM10
SCHEMBL8213991 0.87 ADAM17 (0.55) ADAM17NAMPTMEN1KMT2A
SCHEMBL8274406 0.84 ADAM17 (0.49) ADAM17MEN1KMT2AADAM10MMP12
SCHEMBL8273582 0.83 ADAM17 (0.47) ADAM17NAMPTMEN1KMT2AADAM10
SCHEMBL8274407 0.83 ADAM17 (0.43) ADAM17NAMPTMEN1KMT2ADPP8
SCHEMBL8276118 0.83 ADAM17 (0.43) ADAM17NAMPTMEN1KMT2ADPP8
SCHEMBL8275183 0.83 ADAM17 (0.43) ADAM17NAMPTMEN1KMT2ADPP8
SCHEMBL13544350 0.83 ADAM17 (0.47) ADAM17NAMPTMEN1KMT2AADAM10
SCHEMBL8273743 0.82 ADAM17 (0.46) ADAM17NAMPTMEN1KMT2AADAM10

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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