SCHEMBL3373354

SCHEMBL3373354

COc1ccc2c(c1)C13CCN4CC5=CCOC6CC(=O)N2C1C6C5CC43

nearest known ligand 0.79

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAS2R10 Q9NYW0 2/20 0.79
CHRM1 P11229 1/20 0.79
SMN1; SMN2 Q16637 1/20 0.79
GLRA1 P23415 15/20 0.79
GLRB P48167 15/20 0.79
CYP3A4 P08684 2/20 0.74
MEN1 O00255 2/20 0.74
KMT2A Q03164 2/20 0.74
SCN1A P35498 1/20 0.74
TAS2R46 P59540 1/20 0.74
SCN2A Q99250 1/20 0.74
SCN3A Q9NY46 1/20 0.74

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
SCHEMBL30834780 1.00 TAS2R10 (0.79) TAS2R10CHRM1SMN1; SMN2GLRA1GLRB
SCHEMBL30389159 0.93 TAS2R10 (0.79) TAS2R10CHRM1SMN1; SMN2GLRA1GLRB
Brucine SCHEMBL14029321 0.88 TAS2R10 (1.00) TAS2R10CHRM1SMN1; SMN2GLRA1GLRB
Brucine SCHEMBL12293782 0.88 TAS2R10 (1.00) TAS2R10CHRM1SMN1; SMN2GLRA1GLRB
Brucine SCHEMBL1648976 0.88 TAS2R10 (1.00) TAS2R10CHRM1SMN1; SMN2GLRA1GLRB
Brucine SCHEMBL23468158 0.88 TAS2R10 (1.00) TAS2R10CHRM1SMN1; SMN2GLRA1GLRB
Brucine SCHEMBL19476145 0.88 TAS2R10 (1.00) TAS2R10CHRM1SMN1; SMN2GLRA1GLRB
Brucine SCHEMBL10307298 0.88 TAS2R10 (1.00) TAS2R10CHRM1SMN1; SMN2GLRA1GLRB
Brucine SCHEMBL29391712 0.88 TAS2R10 (1.00) TAS2R10CHRM1SMN1; SMN2GLRA1GLRB
SCHEMBL24177883 0.88 GLRA1 (1.00) TAS2R10CHRM1SMN1; SMN2GLRA1GLRB

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-1718190-A Nux vomica alkaloid liposome, and its prepn. method CAI BAOCHANG (CN) 2006-01-11 CN claimed
US-8765197-B2 Extract of herbal and composition containing the same Dong-A-Pharm, Co., Ltd. (KR) 2014-07-01 US disclosed
EP-2206508-B1 Extract of herbal and the composition containing the same DONG A ST CO LTD (KR) 2013-08-21 EP disclosed
EP-2206508-A2 Extract of herbal and the composition containing the same DONG-A PHARM. CO., LTD. (KR) 2010-07-14 EP disclosed
US-20090186108-A1 EXTRACT OF HERBAL AND COMPOSITION CONTAINING THE SAME DONG-A PHARM, CO., LTD. (KR) 2009-07-23 US disclosed
EP-2029150-A1 EXTRACT OF HERBAL AND THE COMPOSITION CONTAINING THE SAME DONG-A PHARM. CO., LTD. (KR) 2009-03-04 EP disclosed
WO-2007100203-A1 EXTRACT OF HERBAL AND THE COMPOSITION CONTAINING THE SAME DONG-A PHARM. CO., LTD. (KR) 2007-09-07 WO disclosed
CN-1718190-A Nux vomica alkaloid liposome, and its prepn. method CAI BAOCHANG (CN) 2006-01-11 CN disclosed