SCHEMBL5085475

SCHEMBL5085475

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

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.37
S1PR1 P21453 1/20 0.35
PNMT P11086 2/20 0.34
TAAR1 Q96RJ0 2/20 0.34
GPR84 Q9NQS5 1/20 0.33
CYP3A4 P08684 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
SCHEMBL5085456 0.82 IDO1 (0.37) IDO1PNMTTAAR1CYP3A4SIGMAR1
SCHEMBL93982 0.78 IDO1 (0.58) IDO1PNMTTAAR1SIGMAR1
SCHEMBL840353 0.78
SCHEMBL20844684 0.77 CSNK2A1 (0.46) IDO1PNMTTAAR1
SCHEMBL2956766 0.77 S1PR1 (0.41) IDO1S1PR1PNMTTAAR1SIGMAR1
SCHEMBL5430585 0.77 RECQL (0.42) IDO1S1PR1PNMTTAAR1
SCHEMBL5158103 0.77 CYP4F2 (0.42) IDO1S1PR1PNMTTAAR1GPR84
SCHEMBL2735079 0.74 TAAR1 (0.67) PNMTTAAR1SIGMAR1
SCHEMBL3753927 0.73 S1PR1 (0.38) IDO1S1PR1PNMTTAAR1
SCHEMBL6104943 0.73 THRB (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 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