SCHEMBL8273308

SCHEMBL8273308

C[C@H](c1ccccc1)N(C)C(=O)[C@H](O)[C@@H](O)C(=O)NCC1CCN(c2ccccc2N)CC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ADAM17 P78536 6/20 0.47
▸ KCNQ2 O43526 4/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ PTGIR P43119 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ GRIN2B Q13224 1/20 0.35
▸ OPRM1 P35372 1/20 0.35
▸ TPSAB1 Q15661 1/20 0.35
▸ NPFFR2 Q9Y5X5 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
SCHEMBL8273580 0.90 ADAM17 (0.43) ADAM17MEN1KMT2AKDM4E
SCHEMBL8274900 0.87 ADAM17 (0.53) ADAM17PTGIRKDM4EPKM
SCHEMBL8221434 0.87 ADAM17 (0.53) ADAM17PTGIRKDM4EPKM
SCHEMBL8273761 0.87 ADAM17 (0.53) ADAM17PTGIRKDM4EPKM
SCHEMBL8223154 0.84 CHRM4 (0.46) ADAM17PTGIRKDM4EPKM
SCHEMBL8273741 0.83 ADAM17 (0.48) ADAM17KCNQ2MEN1USP2GAA
SCHEMBL8217095 0.81 CHRM4 (0.47) ADAM17
SCHEMBL8274406 0.77 ADAM17 (0.49) ADAM17KCNQ2MEN1USP2GAA
SCHEMBL8273582 0.77 ADAM17 (0.47) ADAM17MEN1USP2GAAKMT2A
SCHEMBL8275453 0.73 ADAM17 (0.44) ADAM17MEN1USP2GAAKMT2A

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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