SCHEMBL25826926

SCHEMBL25826926

CC(C)CCCN1[C@@H]2CC[C@H]1C[C@@H](F)C2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.36
GBA1 P04062 2/20 0.35
SLC6A3 Q01959 3/20 0.35
SLC6A2 P23975 2/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
CHRM1 P11229 1/20 0.35
SLC6A4 P31645 1/20 0.35
MEN1 O00255 1/20 0.34
GMNN O75496 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
NFKB1 P19838 1/20 0.34
MAPK1 P28482 1/20 0.34
THPO P40225 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL24637871 0.79 GBA1 (0.38) SLC18A3GBA1LMNA
SCHEMBL16625961 0.71 GBA1 (0.42) GBA1
SCHEMBL10155717 0.70 CYP2C9 (0.55) SLC6A3SLC6A2DRD2DRD3CHRM1
SCHEMBL16625966 0.70 GBA1 (0.49) GBA1LMNA
SCHEMBL24615657 0.67 SLC6A3 (0.33) SLC6A3
SCHEMBL22067759 0.66 LMNA (0.38) GBA1LMNA
SCHEMBL24637992 0.66 HSD11B1 (0.34) LMNA
SCHEMBL14131035 0.66 GBA1 (0.38) GBA1
SCHEMBL10129914 0.65 LMNA (0.32) LMNA
SCHEMBL2883737 0.65 SLC6A3 (0.47) SLC6A3SLC6A2DRD2DRD4DRD3

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-2023125989-A1 QUINAZOLINE COMPOUND AND APPLICATION THEREOF 上海医药集团股份有限公司 2023-07-06 WO disclosed