SCHEMBL9501520

SCHEMBL9501520

CCC1(c2ccccc2)CCCCC1C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.38
SLC6A2 P23975 4/20 0.38
SLC6A3 Q01959 2/20 0.38
OPRM1 P35372 1/20 0.37
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL11211994 0.78 SLC6A4 (0.44) SLC6A4SLC6A2SLC6A3OPRM1
SCHEMBL27530004 0.76 KDM1A (0.44) SLC6A4SLC6A2SLC6A3
SCHEMBL7754262 0.75 SIGMAR1 (0.41) SLC6A4SLC6A2SLC6A3SIGMAR1
SCHEMBL9313376 0.72 SLC6A3 (0.43) SLC6A4SLC6A2SLC6A3OPRM1
SCHEMBL9313366 0.72 SLC6A3 (0.43) SLC6A4SLC6A2SLC6A3OPRM1
SCHEMBL17207439 0.69 ACHE (0.34) SLC6A4SLC6A2SLC6A3OPRM1SIGMAR1
SCHEMBL9825525 0.69 AKR1C1 (0.46) SLC6A4SLC6A2
SCHEMBL10751965 0.68 SLC6A4 (0.44) SLC6A4SLC6A2SLC6A3OPRM1
SCHEMBL17207385 0.67 ACHE (0.35) SLC6A4SLC6A2SLC6A3OPRM1
SCHEMBL29201208 0.67 SLC6A4 (0.42) SLC6A4SLC6A2SLC6A3SIGMAR1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0338059-B1 IMPROVED LIQUID CRYSTAL MIXTURE CASIO COMPUTER COMPANY LIMITED (JP) 1993-04-21 EP disclosed
EP-0354940-A1 IMPROVED LIQUID CRYSTAL MIXTURE MERCK PATENT GmbH (DE) 1990-02-21 EP disclosed
EP-0338059-A1 IMPROVED LIQUID CRYSTAL MIXTURE CASIO COMPUTER COMPANY LIMITED (JP) 1989-10-25 EP disclosed
WO-1989006677-A1 IMPROVED LIQUID CRYSTAL MIXTURE MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1989-07-27 WO disclosed
WO-1989003867-A1 IMPROVED LIQUID CRYSTAL MIXTURE CASIO COMPUTER COMPANY LIMITED (JP) 1989-05-05 WO disclosed