SCHEMBL12436381

SCHEMBL12436381

Cc1ccc(CC(=O)N2CCC2)cn1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ECE2 P0DPD6 1/20 0.51
SMN1; SMN2 Q16637 6/20 0.50
POLB P06746 2/20 0.50
NPC1 O15118 1/20 0.50
HPGD P15428 1/20 0.50
GRIN2B Q13224 1/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
KDM4E B2RXH2 1/20 0.45
PANK3 Q9H999 1/20 0.44
KCNH2 Q12809 1/20 0.43
GPR119 Q8TDV5 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
ALDH1A1 P00352 2/20 0.42

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
SCHEMBL18389961 0.88 MAPT (0.57) ECE2SMN1; SMN2POLBMEN1KMT2A
SCHEMBL20037975 0.88 SMN1; SMN2 (0.44) ECE2SMN1; SMN2POLBNPC1HPGD
SCHEMBL18389949 0.85 HSD11B1 (0.61) SMN1; SMN2HPGDMEN1KMT2AKDM4E
SCHEMBL18705024 0.84 HRH3 (0.49) SMN1; SMN2MEN1KMT2AKDM4EPANK3
SCHEMBL16211006 0.81 KMT2A (0.52) ECE2SMN1; SMN2NPC1HPGDMEN1
SCHEMBL14190953 0.81 MEN1 (0.50) SMN1; SMN2POLBMEN1KMT2AGPR119
SCHEMBL600778 0.78 ALDH1A1 (0.47) POLBKMT2AKDM4EHRH3LMNA
SCHEMBL17572094 0.78 MEN1 (0.69) SMN1; SMN2POLBNPC1HPGDMEN1
SCHEMBL3613404 0.78 L3MBTL1 (0.56) ECE2SMN1; SMN2POLBNPC1HPGD
SCHEMBL14084729 0.78 GABRP (0.58) ECE2SMN1; SMN2POLBNPC1HPGD

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-2011095997-A1 BENZAMIDE COMPOUNDS AS GLUCOKINASE ACTIVATORS AND THEIR PHARMACEUTICAL APPLICATION ADVINUS THERAPEUTICS PRIVATE LIMITED (IN) 2011-08-11 WO disclosed