SCHEMBL30165708

SCHEMBL30165708

O=C(NCCC12CC3CC(CC(C3)C1)C2)Nc1ccc(C(=O)N2CCCCC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 13/20 0.61
NAMPT P43490 4/20 0.56
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
S1PR2 O95136 1/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
P2RX7 Q99572 1/20 0.48

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
SCHEMBL28424057 0.73 EPHX2 (1.00) EPHX2NAMPTNPC1RAB9ATP53
SCHEMBL28425569 0.72 EPHX2 (1.00) EPHX2NAMPTNPC1RAB9AS1PR2
SCHEMBL30165693 0.72 EPHX2 (1.00) EPHX2
SCHEMBL20379204 0.72 NAMPT (1.00) NAMPT
SCHEMBL20379395 0.71 NAMPT (1.00) NAMPT
SCHEMBL3937889 0.69 EPHX2 (0.83) EPHX2
SCHEMBL163309 0.69 NAMPT (1.00) NAMPT
SCHEMBL15722396 0.69 TGM2 (0.69) LMNAHTTSMN1; SMN2
SCHEMBL13674664 0.69 NAMPT (0.51) EPHX2NAMPTLMNATP53HTT
SCHEMBL28431225 0.68 EPHX2 (1.00) EPHX2

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-111423396-B sEH inhibitor, and preparation method and application thereof 沈阳药科大学 2023-01-06 CN disclosed