SCHEMBL46330

SCHEMBL46330

Cc1cnc2c(n1)CCN2C

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 12/20 0.37
APP P05067 1/20 0.33
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HTR3E A5X5Y0 1/20 0.31
HTR3B O95264 1/20 0.31
HTR3A P46098 1/20 0.31
HTR3D Q70Z44 1/20 0.31
HTR3C Q8WXA8 1/20 0.31
ATM Q13315 1/20 0.31
RAD52 P43351 1/20 0.30

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
SCHEMBL17813497 0.84 GRM5 (0.34) GRM5APPKDM4EALDH1A1ATM
SCHEMBL2669115 0.78 GRM5 (0.39) GRM5
SCHEMBL18563799 0.74 CYP2C19 (0.40) GRM5KDM4EALDH1A1
SCHEMBL16664389 0.73 KDM4E (0.40) KDM4EALDH1A1
SCHEMBL256367 0.72 GRM5 (0.33) GRM5KDM4EALDH1A1
SCHEMBL6127832 0.68 HTR3E (0.34) GRM5ALDH1A1HTR3EHTR3BHTR3A
SCHEMBL24675075 0.68 HTR2A (0.43) ALDH1A1HTR3A
SCHEMBL24675062 0.68 HTR2A (0.43) ALDH1A1HTR3A
SCHEMBL2669107 0.67 GRM5 (0.58) GRM5
SCHEMBL17813500 0.67 GRM5 (0.40) GRM5APP

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-2011151436-A2 NOVEL COMPOUNDS, METHOD FOR USE THEM AND PHARMACEUTICAL COMPOSITION CONTAINING THEM EUROSCREEN S.A. (BE) 2011-12-08 WO disclosed