SCHEMBL4736629

SCHEMBL4736629

Clc1ccc(CNC2CCCC2)cn1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.60
KDM1A O60341 1/20 0.55
MAOA P21397 1/20 0.55
MAOB P27338 1/20 0.55
HRH3 Q9Y5N1 2/20 0.54
ALDH1A1 P00352 3/20 0.54
KDM4E B2RXH2 2/20 0.54
PKM P14618 1/20 0.54
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CXCR4 P61073 1/20 0.49
GLA P06280 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
EPHX1 P07099 1/20 0.46
HDAC1 Q13547 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
SCHEMBL2584901 0.98 POLB (0.58) POLBKDM1AMAOAMAOBHRH3
SCHEMBL31172011 0.93 KDM1A (0.57) POLBKDM1AMAOAMAOBHRH3
SCHEMBL3217424 0.93 KDM1A (0.57) POLBKDM1AMAOAMAOBHRH3
SCHEMBL3985988 0.79 KDM1A (0.48) KDM1AMAOAMAOBALDH1A1KDM4E
SCHEMBL26944372 0.79 HRH3 (0.57) POLBHRH3ALDH1A1KDM4EPKM
SCHEMBL5047960 0.78 TRPA1 (0.48) KDM1AMAOAMAOBALDH1A1KDM4E
SCHEMBL11112228 0.77 POLB (0.96) POLBHRH3ALDH1A1KDM4EPKM
SCHEMBL5048916 0.76 HDAC6 (0.50) KDM1AMAOAMAOBALDH1A1KDM4E
SCHEMBL10953965 0.76 HRH3 (0.88) POLBHRH3ALDH1A1KDM4EPKM
SCHEMBL5863714 0.75 POLB (0.93) POLBHRH3CXCR4GLAHTT

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-2008073461-A2 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO disclosed