SCHEMBL25837873

SCHEMBL25837873

Cc1cc2c(c([C@@H]3CCCN3)c1)CN(C(=O)NC1CC1)CC2

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 1/20 0.39
CASP1 P29466 1/20 0.39
ATM Q13315 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PIP5K1C O60331 3/20 0.37
DRD2 P14416 3/20 0.35
HTR1A P08908 2/20 0.35
DRD3 P35462 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HPGDS O60760 1/20 0.33
GFER P55789 1/20 0.33
MAP3K5 Q99683 1/20 0.33

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
SCHEMBL25837741 0.88 MTNR1B (0.37) POLBKMT2ANPC1RAB9A
SCHEMBL25837868 0.81 LMNA (0.36) POLBATMHSD17B10MEN1KMT2A
SCHEMBL25838324 0.80 LMNA (0.40) POLBMAPTALDH1A1MEN1KMT2A
SCHEMBL25837882 0.80 DPP4 (0.40) POLBMAPTALDH1A1MAPK1MEN1
SCHEMBL25260262 0.79 MAP3K12 (0.39) POLBHPGDS
SCHEMBL30068665 0.79 MAP3K12 (0.39) POLBHPGDS
SCHEMBL25303502 0.79 MAP3K12 (0.39) POLBHPGDS
SCHEMBL25838487 0.79 HSD17B10 (0.32) HSD17B10
SCHEMBL25838486 0.79 HSD17B10 (0.32) HSD17B10
SCHEMBL25837881 0.79 MAPK1 (0.33) MAPK1HSD17B10

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-2023131122-A1 FUSED RING-SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 劲方医药科技(上海)有限公司 2023-07-13 WO disclosed