SCHEMBL7862595

SCHEMBL7862595

[CH2]C1(c2ccc(OC)cc2)CCCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.51
SLC6A3 Q01959 5/20 0.51
GRIN1 Q05586 1/20 0.51
GRIN2A Q12879 1/20 0.51
GRIN2B Q13224 1/20 0.51
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
OPRM1 P35372 1/20 0.46
OPRL1 P41146 1/20 0.46
MAOB P27338 2/20 0.44
MAOA P21397 1/20 0.44
SLC6A2 P23975 1/20 0.44
BACE1 P56817 2/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
GAA P10253 1/20 0.41

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
SCHEMBL12808406 0.78 BACE1 (0.57) SLC6A4SLC6A3GRIN1GRIN2AGRIN2B
SCHEMBL25986515 0.77 SLC6A4 (0.58) SLC6A4SLC6A3GRIN1GRIN2AGRIN2B
SCHEMBL19268518 0.77 SLC6A4 (0.58) SLC6A4SLC6A3GRIN1GRIN2AGRIN2B
SCHEMBL10112733 0.77 SLC6A4 (0.58) SLC6A4SLC6A3GRIN1GRIN2AGRIN2B
SCHEMBL10086337 0.77 SLC6A4 (0.58) SLC6A4SLC6A3GRIN1GRIN2AGRIN2B
SCHEMBL7862598 0.77 SLC6A4 (0.53) SLC6A4SLC6A3GRIN1GRIN2AGRIN2B
SCHEMBL10112736 0.77 SLC6A4 (0.58) SLC6A4SLC6A3GRIN1GRIN2AGRIN2B
SCHEMBL10112726 0.77 SLC6A4 (0.58) SLC6A4SLC6A3GRIN1GRIN2AGRIN2B
SCHEMBL12317609 0.75 OPRM1 (0.55) SLC6A4SLC6A3GRIN1GRIN2AGRIN2B
SCHEMBL10639135 0.75 SLC6A4 (0.56) SLC6A4SLC6A3GRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104884445-B Benzamide H.隆德贝克有限公司 2018-06-19 CN disclosed
EP-2906546-A1 BENZAMIDES H. Lundbeck A/S (DK) 2015-08-19 EP disclosed
WO-2014057078-A1 BENZAMIDES H. LUNDBECK A/S (DK) 2014-04-17 WO disclosed
EP-0623608-B1 BENZOPYRAN DERIVATIVE, PRODUCTION THEREOF, AND PHARMACEUTICAL PREPARATION CONTAINING THE SAME AS ACTIVE INGREDIENT TEIJIN LTD (JP) 2001-05-30 EP disclosed
EP-0546177-B1 BENZOPYRAN DERIVATIVE, PRODUCTION THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME TEIJIN LTD (JP) 1998-01-07 EP disclosed
US-5574061-A ANTILIPEMIC AGENT, ANTIATHEROSCLEROSIS, ACAT INHIBITOR TEIJIN LIMITED (JP) 1996-11-12 US disclosed
EP-0623608-A1 BENZOPYRAN DERIVATIVE, PRODUCTION THEREOF, AND PHARMACEUTICAL PREPARATION CONTAINING THE SAME AS ACTIVE INGREDIENT TEIJIN LIMITED (JP) 1994-11-09 EP disclosed
EP-0546177-A1 BENZOPYRAN DERIVATIVE, PRODUCTION THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME TEIJIN LIMITED (JP) 1993-06-16 EP disclosed