SCHEMBL8871093

SCHEMBL8871093

CC(C)(C)OC(=O)C1CSC(c2cccnc2)N1C(=O)CNC(=O)Nc1cccc(C(=O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PTAFR P25105 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ PRMT3 O60678 1/20 0.38
▸ TBXAS1 P24557 1/20 0.38

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
SCHEMBL8871099 1.00 PTAFR (0.40) PTAFRTSHRPRMT3TBXAS1
SCHEMBL7572233 0.91 MEN1 (0.42) —
SCHEMBL5276625 0.91 MEN1 (0.42) —
SCHEMBL8870865 0.90 CA12 (0.38) —
SCHEMBL8870863 0.90 CA12 (0.38) —
SCHEMBL8870861 0.89 CNR1 (0.42) —
SCHEMBL8870858 0.89 CNR1 (0.42) —
SCHEMBL8871337 0.89 NPC1 (0.46) —
SCHEMBL8871339 0.89 NPC1 (0.46) —
SCHEMBL8871351 0.87 EPHX2 (0.40) —

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
US-5610144-A CHOLECYSTOKININ OR GASTRIN ANTAGONISTS; NERVOUS SYSTEM AND GASTROINTESTINAL DISORDERS RHONE-POULENC RORER S.A. (FR) 1997-03-11 — — US disclosed
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