SCHEMBL8945514

SCHEMBL8945514

BrCCCCCCOCc1ccsc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.36
SLC1A3 P43003 2/20 0.36
SLC1A2 P43004 2/20 0.36
SLC1A1 P43005 2/20 0.36
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
PARP15 Q460N3 1/20 0.33
PARP10 Q53GL7 1/20 0.33
PARP3 Q9Y6F1 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HPGD P15428 1/20 0.31
LTA4H P09960 1/20 0.30

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
SCHEMBL28270910 0.85 TAAR1 (0.41) TAAR1SLC1A3SLC1A2SLC1A1DRD2
SCHEMBL27799490 0.85 TAAR1 (0.43) TAAR1DRD2DRD3HPGD
SCHEMBL9508086 0.85 TAAR1 (0.43) TAAR1DRD2DRD3HPGD
SCHEMBL15412981 0.83 DRD2 (0.41) TAAR1SLC1A3SLC1A2SLC1A1DRD2
SCHEMBL13610226 0.83 DRD2 (0.41) TAAR1SLC1A3SLC1A2SLC1A1DRD2
SCHEMBL15412571 0.83 DRD2 (0.41) TAAR1SLC1A3SLC1A2SLC1A1DRD2
SCHEMBL2340489 0.81 DRD2 (0.42) TAAR1SLC1A3SLC1A2SLC1A1DRD2
SCHEMBL8906379 0.81 SLC1A3 (0.40) TAAR1SLC1A3SLC1A2SLC1A1DRD2
SCHEMBL15412781 0.80 MEN1 (0.42) TAAR1SLC1A3SLC1A2SLC1A1DRD2
SCHEMBL8905224 0.79 SLC1A3 (0.44) TAAR1SLC1A3SLC1A2SLC1A1DRD2

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
US-5538666-A Conducting polymeric side-chain liquid crystals and an orientation layer using the same SAMSUNG DISPLAY DEVICES CO., LTD. (KR) 1996-07-23 US disclosed