SCHEMBL7956264

SCHEMBL7956264

Clc1ccc(N2CCN(c3ccncc3)CC2)nc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.51
CNR2 P34972 1/20 0.50
CHKA P35790 1/20 0.48
AKR1C3 P42330 1/20 0.48
TRPV1 Q8NER1 1/20 0.47
MAPT P10636 3/20 0.47
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
DRD2 P14416 3/20 0.46
DRD4 P21917 2/20 0.46
KMT2A Q03164 2/20 0.46
HRH2 P25021 1/20 0.46
HRH1 P35367 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
HTR1A P08908 1/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR7 P34969 1/20 0.45

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
SCHEMBL3440028 0.80 CHKA (0.48) CNR2CHKAMAPTKDM4ENPC1
SCHEMBL7956825 0.80 AKR1C3 (0.54) CHKAAKR1C3MAPTKDM4ENPC1
SCHEMBL16695272 0.78 CNR2 (0.73) GPR119CNR2MAPTNPSR1DRD2
SCHEMBL972745 0.77 CNR2 (0.54) GPR119CNR2RAB9ADRD2DRD4
SCHEMBL3911609 0.77 CNR2 (0.64) CNR2MAPTKDM4EKMT2AMEN1
SCHEMBL6125262 0.77 KMT2A (0.58) GPR119CNR2RAB9ADRD2DRD4
SCHEMBL29656785 0.77 CNR2 (0.76) GPR119CNR2MAPTNPSR1DRD2
SCHEMBL7956433 0.76 MAPT (0.64) GPR119MAPTKDM4EKMT2AMEN1
SCHEMBL28112415 0.75 CHKA (0.80) CHKAAKR1C3TRPV1MAPTKDM4E
SCHEMBL1998095 0.75 CNR2 (0.55) GPR119CNR2MAPTKDM4ENPC1

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
US-6313127-B1 FOR THERAPY OF HYPERCHOLESTEROLEMIA OR ATHEROSCLEROSIS ZENECA LIMITED (GB) 2001-11-06 US disclosed