SCHEMBL8274405

SCHEMBL8274405

Nc1ncccc1N1CCC(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2Cc3ccccc3C2)CC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ADAM17 P78536 11/20 0.43
▸ NAMPT P43490 5/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ GRIN2B Q13224 1/20 0.38
▸ PRMT5 O14744 1/20 0.37
▸ WDR77 Q9BQA1 1/20 0.37
▸ ADAM10 O14672 1/20 0.37
▸ MMP12 P39900 1/20 0.37
▸ MMP13 P45452 1/20 0.37
▸ DPP8 Q6V1X1 1/20 0.36
▸ DPP9 Q86TI2 1/20 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
SCHEMBL8276666 1.00 ADAM17 (0.43) ADAM17NAMPTMEN1KMT2AGRIN2B
SCHEMBL8274403 0.87 GRIN2D (0.43) ADAM17NAMPTMEN1KMT2AGRIN2B
SCHEMBL8222707 0.86 ADAM17 (0.49) ADAM17NAMPTMEN1KMT2AGRIN2B
SCHEMBL13544350 0.84 ADAM17 (0.47) ADAM17NAMPTMEN1KMT2AADAM10
SCHEMBL8273743 0.84 ADAM17 (0.46) ADAM17NAMPTMEN1KMT2AADAM10
SCHEMBL8274451 0.83 ADAM17 (0.45) ADAM17NAMPTMEN1KMT2AADAM10
SCHEMBL8221020 0.83 RBP4 (0.46) ADAM17
SCHEMBL8273353 0.82 ADAM17 (0.61) ADAM17NAMPTMEN1KMT2AADAM10
SCHEMBL8274846 0.82 ADAM17 (0.61) ADAM17NAMPTMEN1KMT2AADAM10
SCHEMBL8275600 0.82 ADAM17 (0.45) 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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