SCHEMBL9602487

SCHEMBL9602487

C=CC(c1ccccc1)C(N)CCCCCCCCC

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 1/20 0.47
HTR2A P28223 1/20 0.41
SLC2A1 P11166 1/20 0.37
ASAH1 Q13510 2/20 0.37
ALDH1A1 P00352 1/20 0.37
ACER2 Q5QJU3 1/20 0.37
OPRM1 P35372 4/20 0.36
OPRD1 P41143 4/20 0.36
OPRK1 P41145 4/20 0.36
OPRL1 P41146 4/20 0.36
NAAA Q02083 2/20 0.36
LMNA P02545 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
KCNH2 Q12809 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
SCHEMBL28916426 0.82 LMNA (0.39) CSNK1EHTR2AALDH1A1OPRM1OPRD1
SCHEMBL19810866 0.80 HTR2A (0.37) CSNK1EHTR2AASAH1ALDH1A1OPRM1
SCHEMBL4925546 0.80 HTR2A (0.38) CSNK1EHTR2AOPRM1OPRD1OPRK1
SCHEMBL5277955 0.80 HTR2A (0.38) CSNK1EHTR2AOPRM1OPRD1OPRK1
SCHEMBL4378999 0.80 HTR2A (0.38) CSNK1EHTR2AOPRM1OPRD1OPRK1
SCHEMBL10830999 0.79 CSNK1E (0.38) CSNK1EHTR2AASAH1ALDH1A1ACER2
Hydrochloric Acid SCHEMBL2460225 0.79 HTR2A (0.37) CSNK1EHTR2ASLC2A1OPRM1OPRD1
Hydrochloric Acid SCHEMBL850166 0.79 HTR2A (0.37) CSNK1EHTR2ASLC2A1OPRM1OPRD1
Hydrochloric Acid SCHEMBL2460431 0.79 HTR2A (0.37) CSNK1EHTR2ASLC2A1OPRM1OPRD1
SCHEMBL4373835 0.79 HTR2A (0.37) CSNK1EHTR2AASAH1OPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0330772-B1 METHOD OF DOUBLE DECOMPOSITION OF NEUTRAL SALT TOKUYAMA SODA KABUSHIKI KAISHA (JP) 1993-05-26 EP disclosed
EP-0330772-A1 Method of double decomposition of neutral salt TOKUYAMA SODA KABUSHIKI KAISHA (JP) 1989-09-06 EP disclosed
US-4806219-A ELECTRODIALYSIS CELLS CONTAINING ION EXCHANGE MEMBRANES TOKUYAMA SODA KABUSHIKI KAISHA (JP) 1989-02-21 US disclosed