SCHEMBL29104144

SCHEMBL29104144

Cn1c(C2CCCCC2=O)cc2ccc(F)cc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.35
ATM Q13315 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRL1 P41146 1/20 0.34
BRPF1 P55201 1/20 0.32
SRD5A1 P18405 3/20 0.32
KCNH2 Q12809 1/20 0.32
MCHR2 Q969V1 1/20 0.32
PLK1 P53350 1/20 0.32
PLK2 Q9NYY3 1/20 0.32
PIK3CA P42336 1/20 0.32
PRKDC P78527 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
MAOA P21397 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TLR4 O00206 1/20 0.31

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
SCHEMBL29104112 0.90 HPGD (0.43) MCHR1BRPF1SRD5A1PLK1PLK2
SCHEMBL29104123 0.85 MCHR1 (0.35) MCHR1BRPF1PIK3CAPRKDCMAOA
SCHEMBL29104139 0.84 MCHR1 (0.43) MCHR1BRPF1SRD5A1KDM4EALDH1A1
SCHEMBL29104132 0.82 DAO (0.42) BRPF1HSD17B10
SCHEMBL29104138 0.77 RXFP1 (0.38) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL29104129 0.76 AHR (0.40) MCHR1BRPF1KCNH2
SCHEMBL29104119 0.76 MCL1 (0.43) BRPF1SRD5A1HPGDTLR4
SCHEMBL29104152 0.74 L3MBTL1 (0.45) MAOAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL29104142 0.73 DRD2 (0.51) ATMKDM4EALDH1A1
SCHEMBL29104131 0.71 ALDH1A1 (0.32) PIK3CAPRKDCMAOAALDH1A1TLR4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117003738-A Imidazole spiro compound and synthesis method thereof 湘潭大学 2023-11-07 CN claimed
CN-117003738-A Imidazole spiro compound and synthesis method thereof 湘潭大学 2023-11-07 CN disclosed