SCHEMBL27787646

SCHEMBL27787646

COc1cc(NCCN)cc(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.47
GAA P10253 2/20 0.47
MAPT P10636 1/20 0.47
ALDH1A1 P00352 2/20 0.46
PRKACA P17612 1/20 0.44
PRKACG P22612 1/20 0.44
PRKACB P22694 1/20 0.44
KMT2A Q03164 2/20 0.43
FERMT2 Q96AC1 1/20 0.43
POLB P06746 1/20 0.43
SYK P43405 3/20 0.41
ZAP70 P43403 2/20 0.41
KARS1 Q15046 1/20 0.41
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
CYP1A2 P05177 1/20 0.38

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
SCHEMBL27905221 0.89 HTR6 (0.45) TAAR1GAAMAPTALDH1A1PRKACA
SCHEMBL15757422 0.81 MTNR1A (0.60) TAAR1MAPTKMT2AFERMT2POLB
SCHEMBL12178218 0.81 KMT2A (0.48) GAAMAPTALDH1A1PRKACAPRKACG
SCHEMBL6351827 0.80 FERMT2 (0.41) TAAR1GAAMAPTPRKACAFERMT2
SCHEMBL28876190 0.79 GAA (0.47) GAAMAPTALDH1A1PRKACAPRKACG
SCHEMBL28572444 0.79 GAA (0.47) GAAMAPTALDH1A1PRKACAPRKACG
SCHEMBL3018368 0.79 GAA (0.76) TAAR1GAAMAPTALDH1A1KMT2A
SCHEMBL14788156 0.79 KMT2A (0.47) GAAMAPTALDH1A1PRKACAPRKACG
SCHEMBL10010025 0.78 POLB (0.46) GAAMAPTALDH1A1PRKACAPRKACG
Hydrochloric Acid SCHEMBL2345714 0.78 GAA (0.73) TAAR1GAAMAPTALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101730656-B Method for the production of hydrogen from ammonia borane 卡娜塔化学技术股份有限公司 2017-05-03 CN disclosed
CN-101730656-A Method for the production of hydrogen from ammonia borane KANATA CHEMICAL TECHNOLOGIES I 2010-06-09 CN disclosed