SCHEMBL4789777

SCHEMBL4789777

NC[C@H](CO)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 2/20 0.61
GABBR1 Q9UBS5 2/20 0.61
TAAR1 Q96RJ0 4/20 0.54
HTR2A P28223 3/20 0.54
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
CHRNB2 P17787 1/20 0.45
CHRNA4 P43681 1/20 0.45
HRH1 P35367 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
PKM P14618 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TRPA1 O75762 2/20 0.42

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
SCHEMBL1986953 1.00 GABBR2 (0.61) GABBR2GABBR1TAAR1HTR2ASLC6A2
SCHEMBL9787802 1.00 GABBR2 (0.61) GABBR2GABBR1TAAR1HTR2ASLC6A2
Hydrochloric Acid SCHEMBL14764043 0.98 GABBR2 (0.59) GABBR2GABBR1TAAR1HTR2ASLC6A2
SCHEMBL1539105 0.85 TAAR1 (0.65) GABBR2GABBR1TAAR1HTR2ASLC6A2
SCHEMBL148756 0.85 TRPA1 (0.48) GABBR2GABBR1TAAR1HTR2ACYP1A2
Hydrochloric Acid SCHEMBL10676327 0.82 TAAR1 (0.62) GABBR2GABBR1TAAR1HTR2ASLC6A2
SCHEMBL2628024 0.82 GABBR2 (0.57) GABBR2GABBR1TAAR1HTR2ASLC6A2
SCHEMBL7899168 0.82 HRH1 (0.58) GABBR2GABBR1TAAR1HTR2ASLC6A2
SCHEMBL3662680 0.82 HRH1 (0.58) GABBR2GABBR1TAAR1HTR2ASLC6A2
Hydrochloric Acid SCHEMBL8987516 0.80 HRH1 (0.56) GABBR2GABBR1TAAR1HTR2ASLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2766352-B1 INDAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIV HEALTH NETWORK UHN (CA) 2018-06-06 EP disclosed
EP-2766352-A1 INDAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME University Health Network (UHN) (CA) 2014-08-20 EP disclosed
WO-2013053051-A1 INDAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2013-04-18 WO disclosed
WO-2008156654-A2 CYTOSKELETON MODULATORS FOR TREATING METABOLIC DISORDERS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2008-12-24 WO disclosed