SCHEMBL5085456

SCHEMBL5085456

[CH2]Cc1ccc(I)c(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 3/20 0.37
▸ CYP3A4 P08684 1/20 0.35
▸ PNMT P11086 2/20 0.34
▸ TAAR1 Q96RJ0 1/20 0.34
▸ CA2 P00918 1/20 0.31
▸ SIGMAR1 Q99720 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
SCHEMBL5085475 0.82 IDO1 (0.37) IDO1CYP3A4PNMTTAAR1SIGMAR1
SCHEMBL93982 0.78 IDO1 (0.58) IDO1PNMTTAAR1SIGMAR1
SCHEMBL840353 0.78 — —
SCHEMBL6113228 0.77 RECQL (0.42) IDO1CYP3A4PNMTTAAR1CA2
SCHEMBL2951140 0.77 TRPA1 (0.41) IDO1CYP3A4PNMTTAAR1SIGMAR1
SCHEMBL1640915 0.77 CYP4F2 (0.39) IDO1CYP3A4PNMTTAAR1CA2
Hydrochloric Acid SCHEMBL8975991 0.76 CSNK2A1 (0.52) IDO1CYP3A4PNMTTAAR1
SCHEMBL15515932 0.75 IDO1 (0.32) IDO1CYP3A4PNMTTAAR1
SCHEMBL9455806 0.74 IDO1 (0.38) IDO1CYP3A4PNMTTAAR1CA2
SCHEMBL17186205 0.74 TAAR1 (0.67) PNMTTAAR1SIGMAR1

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
WO-2008033572-A1 ACYLOXYALKYL CARBAMATE PRODRUGS, METHODS OF SYNTHESIS AND USE XENOPORT, INC. (US) 2008-03-20 — — WO claimed
WO-2008033572-A1 ACYLOXYALKYL CARBAMATE PRODRUGS, METHODS OF SYNTHESIS AND USE XENOPORT, INC. (US) 2008-03-20 — — WO disclosed
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