SCHEMBL29176563

SCHEMBL29176563

CC(C)OC(=O)N1CCCC1c1nc(CCCc2ccccc2)no1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 5/20 0.42
SPHK1 Q9NYA1 4/20 0.42
EPHX2 P34913 2/20 0.41
CPT1A P50416 6/20 0.40
CPT2 P23786 2/20 0.40
CPT1B Q92523 1/20 0.40
DPP4 P27487 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
HCRTR1 O43613 2/20 0.39
AADAT Q8N5Z0 1/20 0.39
HCRTR2 O43614 1/20 0.39

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
SCHEMBL29176560 1.00 SPHK2 (0.42) SPHK2SPHK1EPHX2CPT1ACPT2
SCHEMBL29176496 0.89 EPHX2 (0.45) SPHK2SPHK1EPHX2CPT1ACPT2
SCHEMBL29176497 0.89 EPHX2 (0.45) SPHK2SPHK1EPHX2CPT1ACPT2
SCHEMBL24824005 0.89 RAB9A (0.43) SPHK2SPHK1EPHX2CPT1ACPT2
SCHEMBL29176602 0.89 RAB9A (0.43) SPHK2SPHK1EPHX2CPT1ACPT2
SCHEMBL24824001 0.89 SPHK2 (0.46) SPHK2SPHK1
SCHEMBL30147124 0.88 ALDH1A1 (0.48) SPHK2SPHK1
SCHEMBL24825684 0.87 EPHX2 (0.49) SPHK2SPHK1EPHX2DPP4DPP8
SCHEMBL24824000 0.87 PREP (0.46) EPHX2CPT1ACPT2CPT1BAADAT
SCHEMBL29176512 0.87 ALDH1A1 (0.46) CPT1ACPT2CPT1BAADAT

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-117730079-A Heterocyclyl-substituted polyheterazoles derivatives as medicaments for the treatment and/or prophylaxis of RSV infections 亚博思生物科技(第一)有限公司 2024-03-19 CN disclosed