SCHEMBL13542023

SCHEMBL13542023

Cn1cnc2c1CN(C(=O)[C@H](O)[C@@H](O)C(=O)NCC1CCN(c3ccc(F)cc3C#N)CC1)C2

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ADAM17 P78536 5/20 0.44
▸ CHRM4 P08173 3/20 0.40
▸ CHRNA7 P36544 1/20 0.35
▸ PDPK1 O15530 1/20 0.34
▸ RPS6KB1 P23443 2/20 0.34
▸ SCN5A Q14524 1/20 0.33
▸ SCN9A Q15858 1/20 0.33
▸ FFAR4 Q5NUL3 1/20 0.33
▸ GPR6 P46095 3/20 0.33
▸ LDHA P00338 1/20 0.33
▸ USP30 Q70CQ3 1/20 0.33

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
SCHEMBL8217550 0.86 ADAM17 (0.44) ADAM17CHRM4PDPK1RPS6KB1SCN5A
SCHEMBL8214415 0.84 ADAM17 (0.46) ADAM17CHRM4GPR6LDHA
SCHEMBL8221817 0.84 ADAM17 (0.43) ADAM17CHRM4PDPK1RPS6KB1GPR6
SCHEMBL8214329 0.83 ADAM17 (0.44) ADAM17CHRM4PDPK1RPS6KB1USP30
SCHEMBL8222661 0.83 ADAM17 (0.53) ADAM17CHRM4SCN5ASCN9AFFAR4
SCHEMBL8221438 0.83 ADAM17 (0.53) ADAM17CHRM4RPS6KB1SCN5ASCN9A
SCHEMBL8221453 0.83 ADAM17 (0.53) ADAM17CHRM4RPS6KB1SCN5ASCN9A
SCHEMBL8273348 0.83 ADAM17 (0.53) ADAM17CHRM4RPS6KB1SCN5ASCN9A
SCHEMBL8222795 0.83 ADAM17 (0.43) ADAM17CHRM4GPR6USP30
SCHEMBL8274446 0.83 ADAM17 (0.43) ADAM17CHRM4GPR6USP30

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7652020-B2 novel hydantoin derivatives to inhibit matrix metalloproteinases (MMPs), a disintegrin and metalloproteases (ADAMs) and/or tumor necrosis factor alpha converting enzyme (TACE) and in so doing prevent the release of tumor necrosis factor alpha (TNF- alpha ); autoimmune diseases; side effect reduction SCHERING CORPORATION (US) 2010-01-26 — — US disclosed
US-7652020-B2 novel hydantoin derivatives to inhibit matrix metalloproteinases (MMPs), a disintegrin and metalloproteases (ADAMs) and/or tumor necrosis factor alpha converting enzyme (TACE) and in so doing prevent the release of tumor necrosis factor alpha (TNF- alpha ); autoimmune diseases; side effect reduction SCHERING CORPORATION (US) 2010-01-26 — — US disclosed
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