SCHEMBL29786276

SCHEMBL29786276

CC(CCN)c1cccnc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46
SLC6A3 Q01959 2/20 0.46
CFTR P13569 1/20 0.46
GOPC Q9HD26 1/20 0.46
KDM4E B2RXH2 1/20 0.45
CHRNA7 P36544 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
CYP2A6 P11509 1/20 0.42
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
HRH1 P35367 2/20 0.41
CYP19A1 P11511 1/20 0.41
GRM8 O00222 1/20 0.40
GRM4 Q14833 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL2604881 1.00 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3CFTRGOPC
SCHEMBL3265767 0.89 CYP2A6 (0.47) SLC6A2SLC6A4SLC6A3CFTRGOPC
SCHEMBL2569574 0.85 TAAR1 (0.57) SLC6A2SLC6A4SLC6A3CFTRGOPC
SCHEMBL14928668 0.85 TAAR1 (0.57) SLC6A2SLC6A4SLC6A3CFTRGOPC
SCHEMBL23689571 0.83 CFTR (0.47) SLC6A2SLC6A4SLC6A3CFTRGOPC
SCHEMBL20098043 0.83 CFTR (0.57) SLC6A2SLC6A4SLC6A3CFTRGOPC
SCHEMBL21770565 0.83 CFTR (0.47) SLC6A2SLC6A4SLC6A3CFTRGOPC
SCHEMBL11337414 0.83 CFTR (0.47) SLC6A2SLC6A4SLC6A3CFTRGOPC
SCHEMBL24919838 0.83 CFTR (0.47) SLC6A2SLC6A4SLC6A3CFTRGOPC
SCHEMBL177897 0.81 CFTR (0.46) SLC6A2SLC6A4SLC6A3CFTRGOPC

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
CN-114787135-A Substituted imidazole carboxamides and their use in the treatment of medical disorders 比亚尔R&D投资股份公司 2022-07-22 CN disclosed