SCHEMBL8870781

SCHEMBL8870781

CC(C)(C)OC(=O)[C@@H]1CS[C@H](c2ccccc2F)N1C(=O)CNC(=O)Nc1cccc(C(O)C(=O)O)c1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.34
▸ CCKBR P32239 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ RORC P51449 1/20 0.32
▸ PRMT5 O14744 1/20 0.32
▸ WDR77 Q9BQA1 1/20 0.32
▸ CASR P41180 2/20 0.32
▸ PKM P14618 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ ACE P12821 2/20 0.31
▸ NPY2R P49146 1/20 0.31
▸ USP30 Q70CQ3 1/20 0.31
▸ DRD4 P21917 1/20 0.31
▸ EPHX2 P34913 2/20 0.31
▸ NPY1R P25929 1/20 0.31

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
SCHEMBL8870784 1.00 IDO1 (0.34) IDO1CCKBRCYP1A2CYP2C19RORC
SCHEMBL8870811 1.00 IDO1 (0.34) IDO1CCKBRCYP1A2CYP2C19RORC
Aseripide SCHEMBL4096803 0.93 PTGS2 (0.36) IDO1CCKBRCYP1A2CYP2C19RORC
Aseripide SCHEMBL4096800 0.93 PTGS2 (0.36) IDO1CCKBRCYP1A2CYP2C19RORC
Aseripide SCHEMBL29387471 0.93 PTGS2 (0.36) IDO1CCKBRCYP1A2CYP2C19RORC
Aseripide SCHEMBL5274420 0.93 PTGS2 (0.36) IDO1CCKBRCYP1A2CYP2C19RORC
SCHEMBL8870841 0.88 CASR (0.36) CCKBRCYP1A2CYP2C19PRMT5WDR77
SCHEMBL8870833 0.88 CASR (0.36) CCKBRCYP1A2CYP2C19PRMT5WDR77
SCHEMBL8870912 0.88 PTGS2 (0.36) IDO1CCKBRCYP1A2CYP2C19RORC
SCHEMBL8870373 0.87 BACE1 (0.34) RORCUSP30NPY1R

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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