SCHEMBL13638801

SCHEMBL13638801

C[C@H]1CN(Cc2ccc(N)c(C=O)c2)CCO1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 5/20 0.46
KCNH2 Q12809 1/20 0.46
CNR2 P34972 2/20 0.40
CNR1 P21554 1/20 0.40
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
DRD4 P21917 6/20 0.38
DRD1 P21728 1/20 0.38
MCHR1 Q99705 1/20 0.38
KDM1A O60341 1/20 0.36
BRD4 O60885 1/20 0.35
CCL2 P13500 1/20 0.35

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
SCHEMBL13638752 0.84 GRM2 (0.43) GRM2KCNH2CNR2CNR1CCNC
SCHEMBL13163981 0.77 KDM4E (0.52) GRM2KCNH2CCNCCDK8PRMT5
SCHEMBL8291021 0.75 DRD4 (0.57) GRM2CNR2CNR1DRD4
Ammonia Solution, Strong SCHEMBL4483710 0.74 DRD4 (0.56) GRM2CNR2CNR1DRD4
SCHEMBL12375 0.73 ALDH1A1 (0.49) CNR2CNR1DRD4KDM1A
Ammonia Solution, Strong SCHEMBL2849850 0.73 DRD4 (0.57) GRM2KCNH2CNR2CNR1DRD4
SCHEMBL260037 0.72 GRM2 (0.40) GRM2KCNH2CNR2CNR1CCNC
SCHEMBL27038447 0.72 KDM4E (0.46) CNR2CNR1DRD4DRD1KDM1A
SCHEMBL16007596 0.72 DRD4 (0.58) GRM2KCNH2CNR2CNR1DRD4
SCHEMBL27132658 0.72 KDM4E (0.46) CNR2CNR1DRD4DRD1KDM1A

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-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed