SCHEMBL5299304

SCHEMBL5299304

O=C(Cl)CCc1ccc(-c2ccccn2)cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.57
CES1 P23141 4/20 0.52
FAAH O00519 2/20 0.52
FFAR1 O14842 3/20 0.50
KDM4E B2RXH2 2/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
ALDH1A1 P00352 1/20 0.43
THRB P10828 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL5309049 0.86 FFAR1 (0.64) HCAR2CES1FAAHFFAR1
SCHEMBL6598298 0.84 HCAR2 (0.47) HCAR2CA12CA1CA2CA9
SCHEMBL12646487 0.81 HCAR2 (0.57) HCAR2CES1FAAHFFAR1KDM4E
SCHEMBL1138773 0.78 HCAR2 (0.50) HCAR2CES1FAAHFFAR1KDM4E
SCHEMBL1912568 0.78 FFAR1 (0.71) CES1FFAR1HTT
SCHEMBL4425355 0.77 NAAA (0.68) HCAR2ALDH1A1
SCHEMBL14268241 0.76 BRS3 (0.50) HCAR2CES1FAAHFFAR1KDM4E
SCHEMBL23828889 0.76 HCAR2 (0.55) HCAR2CES1FAAHKDM4EMAPT
SCHEMBL28214265 0.76 CYP2A6 (0.57) KDM4EMAPTHTTSMN1; SMN2ALDH1A1
SCHEMBL30433544 0.76 ABCC4 (0.61) HCAR2CES1FAAHFFAR1KDM4E

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-2007015744-A1 DISUBSTITUTED THIENYL COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2007-02-08 WO disclosed
WO-2007015744-A1 DISUBSTITUTED THIENYL COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2007-02-08 WO disclosed