SCHEMBL4979245

SCHEMBL4979245

Clc1ccccc1C1COCC[N]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.49
DPP4 P27487 2/20 0.38
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
TP53 P04637 1/20 0.35
RECQL P46063 1/20 0.35
MAOB P27338 2/20 0.35
OPRL1 P41146 2/20 0.34
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
MAPT P10636 1/20 0.32
MAOA P21397 1/20 0.32
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL4723659 0.77 KDM1A (0.45) MAPTKDM4EALDH1A1HPGDKDM1A
SCHEMBL3173617 0.76 HTR2C (0.41) HTR2AHTR2CHTR2BADRA1ATSHR
SCHEMBL4779844 0.76 ALDH1A1 (0.33) MAPTSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL894904 0.74 TAAR1 (0.43) TAAR1HTR2CMAOBMAPTMAOA
SCHEMBL2317406 0.73 HTR2C (0.40) TAAR1HTR2CHTR2BKDM1A
SCHEMBL4718986 0.73 KDM1A (0.32) KDM4EALDH1A1KDM1A
SCHEMBL1849372 0.73 TAAR1 (0.45) TAAR1DPP4HTR2AHTR2CHTR2B
SCHEMBL8646652 0.71 TAAR1 (0.44) TAAR1DPP4HTR2AHTR2CHTR2B
SCHEMBL5537151 0.71 TAAR1 (0.46) TAAR1MAOBALDH1A1TNKS2KDM1A
SCHEMBL3153886 0.70 TAAR1 (0.42) TAAR1DPP4HTR2AHTR2CHTR2B

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
EP-1991540-A1 CINNOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS Amgen Inc. (US) 2008-11-19 EP disclosed
WO-2007098214-A1 CINNOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2007-08-30 WO disclosed