SCHEMBL28087397

SCHEMBL28087397

CC(C)Cl.CC(Cl)CNCCc1ccc(Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.57
GAA P10253 1/20 0.49
KMT2A Q03164 6/20 0.48
MEN1 O00255 4/20 0.48
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA4 P22748 1/20 0.45
CA9 Q16790 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
IDO1 P14902 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KCNH2 Q12809 2/20 0.44
LMNA P02545 2/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL938702 1.00 TAAR1 (0.57) TAAR1GAAKMT2AMEN1CA12
Hydrochloric Acid SCHEMBL28087267 0.98 TAAR1 (0.55) TAAR1GAAKMT2AMEN1CA12
Hydrochloric Acid SCHEMBL174859 0.98 TAAR1 (0.55) TAAR1GAAKMT2AMEN1CA12
Oxalic Acid SCHEMBL27962691 0.90 GAA (0.52) TAAR1GAAKMT2AMEN1CYP1A2
SCHEMBL13801229 0.89 TAAR1 (0.53) TAAR1GAAKMT2AMEN1CA12
SCHEMBL13644447 0.89 TAAR1 (0.57) TAAR1GAAKMT2AMEN1CA12
SCHEMBL12574171 0.85 TAAR1 (0.53) TAAR1GAAKMT2AMEN1CA12
SCHEMBL937041 0.85 TAAR1 (0.53) TAAR1GAAKMT2AMEN1CYP1A2
SCHEMBL23374696 0.84 TAAR1 (0.52) TAAR1GAAKMT2AMEN1CA12
Hydrochloric Acid SCHEMBL3770898 0.84 TAAR1 (0.52) TAAR1GAAKMT2AMEN1CYP1A2

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-105924396-A Method for preparing lorcaserin 重庆两江药物研发中心有限公司 2016-09-07 CN claimed
CN-105924396-A Method for preparing lorcaserin 重庆两江药物研发中心有限公司 2016-09-07 CN disclosed