SCHEMBL648620

SCHEMBL648620

COc1ccc(CCN(C)C)cc1

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 3/20 0.71
HRH3 Q9Y5N1 3/20 0.66
TAAR1 Q96RJ0 4/20 0.57
KCNH2 Q12809 1/20 0.56
SIGMAR1 Q99720 1/20 0.54
SLC6A2 P23975 1/20 0.53
SLC6A4 P31645 1/20 0.53
SLC6A3 Q01959 1/20 0.53
CALM1 P0DP23 1/20 0.52
MAOB P27338 1/20 0.52

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
Hydrochloric Acid SCHEMBL8506777 0.98 AOC3 (0.69) AOC3HRH3TAAR1KCNH2SIGMAR1
SCHEMBL11458154 0.88 AOC3 (0.61) AOC3HRH3TAAR1KCNH2SIGMAR1
SCHEMBL11131252 0.86 AOC3 (0.59) AOC3HRH3TAAR1KCNH2SIGMAR1
Hydrochloric Acid SCHEMBL8615620 0.86 AOC3 (0.59) AOC3HRH3TAAR1KCNH2SIGMAR1
Maleic Acid SCHEMBL30628120 0.85 ALDH1A1 (0.61) AOC3HRH3TAAR1KCNH2
Maleic Acid SCHEMBL28310576 0.85 ALDH1A1 (0.61) AOC3HRH3TAAR1KCNH2
SCHEMBL18762839 0.83 HRH3 (0.84) AOC3HRH3TAAR1KCNH2SIGMAR1
SCHEMBL834551 0.81 TAAR1 (0.73) AOC3HRH3TAAR1SIGMAR1CALM1
SCHEMBL9669705 0.80 AOC3 (0.62) AOC3KCNH2SIGMAR1SLC6A2SLC6A4
SCHEMBL25519821 0.80 HRH3 (0.68) AOC3HRH3TAAR1KCNH2

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 85 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1070048-A4 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2001-11-07 EP claimed
EP-1070048-A1 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2001-01-24 EP claimed
WO-1999051569-A1 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1999-10-14 WO claimed
EP-0901459-A1 CALCILYTIC COMPOUNDS NPS PHARMACEUTICALS, INC. (US) 1999-03-17 EP claimed
WO-1997037967-A1 CALCILYTIC COMPOUNDS NPS PHARMACEUTICALS, INC. (US) 1997-10-16 WO claimed
CN-110114346-B Improved process for preparing R-6-hydroxy-8- [ 1-hydroxy-2- [2- (4-methoxyphenyl) -1, 1-dimethylethylaminoethyl ] -2H-1, 4-benzoxazin-3 (4H) -one hydrochloride INKE股份公司 2023-10-31 CN disclosed
CN-113620821-A Preparation method of hordenine hydrochloride 广汉市派瑞林科技有限责任公司 2021-11-09 CN disclosed
EP-2972320-B1 METHODS OF IMAGING INFLAMMATORY DISEASES BY LIGANDS CONJUGATED TO FLUORESCENT COMPOUNDS PURDUE RESEARCH FOUNDATION (US) 2019-10-23 EP disclosed
US-9034852-B2 Substituted phenoxy N-alkylated thiazolidinediones as estrogen related receptor-α modulators JANSSEN PHARMACEUTICA N.V. (BE) 2015-05-19 US disclosed
US-8796256-B2 Substituted thiazolidinedione indazoles, indoles and benzotriazoles as estrogen-related receptor-α modulators JANSSEN PHARMACEUTICA NV (BE) 2014-08-05 US disclosed
EP-2536717-B1 AMINOTHIAZOLONES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-06-04 EP disclosed
US-8735406-B2 8-oxodihydropurine derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2014-05-27 US disclosed
EP-1069901-A4 CALCILYTIC COMPOUNDS AND METHOD OF USE SMITHKLINE BEECHAM CORP (US) 2001-06-13 EP disclosed
EP-1069901-A1 CALCILYTIC COMPOUNDS AND METHOD OF USE SMITHKLINE BEECHAM CORPORATION (US) 2001-01-24 EP disclosed
WO-2000009132-A1 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-24 WO disclosed
EP-0973730-A1 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2000-01-26 EP disclosed
WO-1999051241-A1 CALCILYTIC COMPOUNDS AND METHOD OF USE SMITHKLINE BEECHAM CORPORATION (US) 1999-10-14 WO disclosed
EP-0901459-A1 CALCILYTIC COMPOUNDS NPS PHARMACEUTICALS, INC. (US) 1999-03-17 EP disclosed
WO-1998045255-A1 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1998-10-15 WO disclosed
WO-1997037967-A1 CALCILYTIC COMPOUNDS NPS PHARMACEUTICALS, INC. (US) 1997-10-16 WO disclosed