SCHEMBL6202449

SCHEMBL6202449

COc1cccc(C[CH]O)c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.55
IDO1 P14902 2/20 0.55
AGXT P21549 2/20 0.55
CHRM2 P08172 1/20 0.51
CHRM1 P11229 1/20 0.51
CHRM3 P20309 1/20 0.51
CMA1 P23946 1/20 0.50
CYP1A2 P05177 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
AOC3 Q16853 1/20 0.49
MAOB P27338 1/20 0.49
ALDH1A1 P00352 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CTBP2 P56545 1/20 0.47

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
SCHEMBL8305017 0.84 TAAR1 (0.58) TAAR1IDO1AGXTCHRM2CHRM1
SCHEMBL3503547 0.82 TAAR1 (0.56) TAAR1IDO1AGXTCHRM2CHRM1
SCHEMBL248658 0.82 CHRM2 (0.57) TAAR1IDO1AGXTCHRM2CHRM1
SCHEMBL18059842 0.81 TAAR1 (0.51) TAAR1IDO1AGXTCHRM2CHRM1
SCHEMBL23617138 0.81 TAAR1 (0.55) TAAR1IDO1AGXTCHRM2CHRM1
SCHEMBL29382328 0.81 ALDH1A1 (0.60) TAAR1IDO1AGXTCHRM2CHRM1
SCHEMBL7481915 0.81 TAAR1 (0.55) TAAR1IDO1AGXTCHRM2CHRM1
SCHEMBL2091147 0.81 ALDH1A1 (0.60) TAAR1IDO1AGXTCHRM2CHRM1
SCHEMBL8465634 0.81 TAAR1 (0.55) TAAR1IDO1AGXTCHRM2CHRM1
SCHEMBL28230126 0.81 TAAR1 (0.55) TAAR1IDO1AGXTCHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1130017-B1 Azole derivatives and their use as superoxide radical inhibitors OTSUKA PHARMA CO LTD (JP) 2005-06-15 EP disclosed
US-RE37556-E1 (ALKOXYPHENYL)THIAZOLE DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2002-02-19 US disclosed
EP-1130017-A2 Azole derivatives and their use as superoxide radical inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2001-09-05 EP disclosed
US-6080764-A PROTECTING VARIOUS TISSUE CELLS FROM DISTURBANCES ASSOCIATED WITH ISCHEMIA AND BLOOD REPERFUSION IN HEART, BRAIN, KIDNEY, LUNG AND DIGESTIVE TRACT BY INHIBITING SUPEROXIDE-RELEASE BY NEUTROPHILIC LEUKOCYTES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2000-06-27 US disclosed
EP-0934940-A1 CYTOKINE PRODUCTION INHIBITORS, TRIAZEPINE COMPOUNDS, AND INTERMEDIATES THEREOF Japan Tobacco Inc. (JP) 1999-08-11 EP disclosed
EP-0934937-A1 Azole derivatives as superoxide radical inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1999-08-11 EP disclosed
US-5807850-A Therapeutic agent for osteoporosis and triazepine compound JAPAN TOBACCO, INC. (JP) 1998-09-15 US disclosed
CN-1171788-A Therapeutic agent for osteoporosis and triaza * compound JAPAN TOBACCO INC (JP) 1998-01-28 CN disclosed
US-5677319-A THIAZOLE DERIVATIVE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-10-14 US disclosed
EP-0792880-A1 OSTEOPOROSIS REMEDY AND TRIAZEPINE COMPOUND Japan Tobacco Inc. (JP) 1997-09-03 EP disclosed
US-5643932-A PREVENTS CELL DAMAGE AFTER ISCHEMIA AND RE-PERFUSION, SUBSTITUTED THIAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-07-01 US disclosed
EP-0513387-A1 ACTIVE OXYGEN INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-19 EP disclosed