SCHEMBL29629110

SCHEMBL29629110

CN(CC1CCC1)C(N)=O

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.61
HTR6 P50406 1/20 0.33
PARP15 Q460N3 1/20 0.33
PARP10 Q53GL7 1/20 0.33
PARP2 Q9UGN5 1/20 0.33
SIGMAR1 Q99720 1/20 0.31
PTGIR P43119 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
BACE1 P56817 1/20 0.31
EPHX1 P07099 2/20 0.31
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 1/20 0.31
DAO P14920 1/20 0.30

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
SCHEMBL27683141 0.96 ALOX5 (0.61) ALOX5HTR6PARP15PARP10SIGMAR1
SCHEMBL10242486 0.91
Hydrochloric Acid SCHEMBL27945144 0.89 ALOX5 (0.56) ALOX5HTR6PTGIRTDP1DAO
SCHEMBL18787484 0.80 ALOX5 (0.47) ALOX5SIGMAR1PTGIR
SCHEMBL21058086 0.78 ALOX5 (0.45) ALOX5SIGMAR1PTGIRBACE1
SCHEMBL24630130 0.77 ALOX5 (0.38) ALOX5TDP1
SCHEMBL9308267 0.76 ALOX5 (1.00) ALOX5PARP15PARP10PARP2TDP1
SCHEMBL20251406 0.75 ALOX5 (0.42) ALOX5PTGIR
SCHEMBL25692128 0.75 ALOX5 (0.42) ALOX5PTGIR
SCHEMBL3373961 0.74 ALOX5 (0.48) ALOX5SIGMAR1DAO

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-114621135-B LPA1 small molecule antagonist 上海拓界生物医药科技有限公司 2024-01-30 CN disclosed
CN-114621135-A LPA1 small molecule antagonist 上海拓界生物医药科技有限公司 2022-06-14 CN disclosed