SCHEMBL17690230

SCHEMBL17690230

OC1(Cc2cccc(Br)c2)CCCC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
TAAR1 Q96RJ0 4/20 0.43
IDO1 P14902 2/20 0.42
AGXT P21549 2/20 0.42
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAOB P27338 1/20 0.40
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
UTS2R Q9UKP6 1/20 0.39
STS P08842 1/20 0.38
MBTD1 Q05BQ5 1/20 0.38
L3MBTL3 Q96JM7 1/20 0.38
SIGMAR1 Q99720 1/20 0.37

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
SCHEMBL613450 0.81 TAAR1 (0.47) SMN1; SMN2TDP1TAAR1CYP2C9CYP2C19
SCHEMBL31374947 0.79 SLC6A4 (0.46) TAAR1IDO1AGXTSIGMAR1
SCHEMBL4527865 0.77 POLB (0.43) TAAR1IDO1
SCHEMBL735823 0.77 OPRL1 (0.56) ALDH1A1MAOB
SCHEMBL1773425 0.76 GRIN2D (0.48) SMN1; SMN2
SCHEMBL25518220 0.75 PNMT (0.46) TAAR1IDO1AGXTSIGMAR1
SCHEMBL28914545 0.75 TAAR1 (0.52) SMN1; SMN2TDP1TAAR1IDO1AGXT
SCHEMBL30063439 0.75 TAAR1 (0.52) SMN1; SMN2TDP1TAAR1IDO1AGXT
SCHEMBL2192474 0.75 OPRL1 (0.54) ALDH1A1MAOB
SCHEMBL2192517 0.75 OPRL1 (0.54) ALDH1A1MAOB

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
EP-3009421-A1 GLYCINE TRANSPORTER INHIBITOR Taisho Pharmaceutical Co., Ltd. (JP) 2016-04-20 EP disclosed