SCHEMBL4427360

SCHEMBL4427360

CCCc1cccc(-c2cccc(Cl)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.52
MAOB P27338 2/20 0.51
AOC3 Q16853 2/20 0.47
CTSS P25774 2/20 0.47
CTSK P43235 2/20 0.47
ESR2 Q92731 1/20 0.44
ALOX5 P09917 1/20 0.44
PNMT P11086 1/20 0.44
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
HTR3A P46098 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43

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
SCHEMBL91272 0.88 TAAR1 (0.63) TAAR1AOC3PNMTHTR3EHTR3B
SCHEMBL29848342 0.88 TAAR1 (0.63) TAAR1AOC3PNMTHTR3EHTR3B
SCHEMBL196298 0.88 CTSS (0.51) CTSSCTSK
SCHEMBL30777855 0.88 CTSS (0.51) CTSSCTSK
SCHEMBL13092844 0.87 AOC3 (0.49) TAAR1MAOBAOC3CTSSCTSK
SCHEMBL19523120 0.87 MAOB (0.69) TAAR1MAOBCTSSCTSKESR2
Ammonia Solution, Strong SCHEMBL3788232 0.86 TAAR1 (0.61) TAAR1AOC3PNMTHTR3EHTR3B
SCHEMBL24005570 0.86 CTSS (0.50) CTSSCTSK
SCHEMBL18015843 0.84 TAAR1 (0.55) TAAR1MAOBAOC3ESR2ALOX5
Hydrochloric Acid SCHEMBL28484059 0.84 TAAR1 (0.59) TAAR1AOC3PNMTHTR3EHTR3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009150147-A1 NEW PROCESS FOR THE PREPARATION OF LEVOCETIRIZINE AND INTERMEDIATES THEREOF KRKA, TOVARNA ZDRAVIL, D.D., NOVO MESTO (SI) 2009-12-17 WO disclosed