SCHEMBL4794451

SCHEMBL4794451

Clc1ccc2c(c1)C([AsH2])CCO2

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 2/20 0.51
ADRA2A P08913 1/20 0.50
HCRTR2 O43614 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
TERT O14746 1/20 0.37
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
AHR P35869 1/20 0.36
MAOB P27338 2/20 0.35
MAOA P21397 1/20 0.35

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
SCHEMBL1265783 0.79 MAP3K14 (0.51) MAP3K14ADRA2AHCRTR2TAAR1TERT
SCHEMBL27859985 0.79 MAP3K14 (0.51) MAP3K14ADRA2AHCRTR2TAAR1TERT
SCHEMBL21436437 0.79 MAP3K14 (0.51) MAP3K14ADRA2AHCRTR2TAAR1TERT
SCHEMBL24997240 0.79 MAP3K14 (0.75) MAP3K14ADRA2AHCRTR2TERTDRD2
SCHEMBL13198495 0.79 MAP3K14 (0.51) MAP3K14ADRA2AHCRTR2TERTDRD2
SCHEMBL24075122 0.79 MAP3K14 (0.51) MAP3K14ADRA2AHCRTR2TERTDRD2
SCHEMBL16397491 0.79 MAP3K14 (0.75) MAP3K14ADRA2AHCRTR2TERTDRD2
SCHEMBL24393413 0.79 MAP3K14 (0.75) MAP3K14ADRA2AHCRTR2TERTDRD2
SCHEMBL8912565 0.79 MAP3K14 (0.51) MAP3K14ADRA2AHCRTR2TAAR1TERT
Hydrochloric Acid SCHEMBL1066095 0.77 MAP3K14 (0.50) MAP3K14ADRA2AHCRTR2TAAR1TERT

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
EP-1874772-A1 PURINE AND IMIDAZOPYRIDINE DERIVATIVES FOR IMMUNOSUPPRESSION PHARMACOPEIA, INC. (US) 2008-01-09 EP disclosed
WO-2006108103-A1 PURINE AND IMIDAZOPYRIDINE DERIVATIVES FOR IMMUNOSUPPRESSION PHARMACOPEIA, INC. (US) 2006-10-12 WO disclosed