SCHEMBL29035809

SCHEMBL29035809

[CH2]C(CCCCC)C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.48
CA2 P00918 2/20 0.48
GPR84 Q9NQS5 6/20 0.43
FFAR1 O14842 1/20 0.43
EPHX1 P07099 1/20 0.42
LAP3 P28838 2/20 0.42
MAPT P10636 1/20 0.42
TP53 P04637 1/20 0.42
LCK P06239 1/20 0.42
PPARD Q03181 1/20 0.42
ZDHHC20 Q5W0Z9 1/20 0.42
ZDHHC2 Q9UIJ5 1/20 0.42
GRIK1 P39086 1/20 0.41
SLC1A2 P43004 1/20 0.41
SLC1A1 P43005 1/20 0.41
GRIK2 Q13002 1/20 0.41
OPRM1 P35372 1/20 0.41

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
SCHEMBL14562812 0.98 GPR84 (0.47) CA1CA2GPR84FFAR1EPHX1
SCHEMBL28252018 0.98 GPR84 (0.47) CA1CA2GPR84FFAR1EPHX1
SCHEMBL27523425 0.98 GPR84 (0.47) CA1CA2GPR84FFAR1EPHX1
SCHEMBL7860768 0.93
SCHEMBL28153884 0.87 FAAH (0.58) MAPTTP53PPARD
SCHEMBL7852646 0.83
SCHEMBL4272468 0.79 GPR84 (0.56) CA1CA2GPR84FFAR1MAPT
SCHEMBL23142266 0.77 GPR84 (0.59) CA2GPR84FFAR1LAP3MAPT
SCHEMBL10340553 0.77 GPR84 (0.59) CA2GPR84FFAR1LAP3MAPT
SCHEMBL10340684 0.77 GPR84 (0.59) CA2GPR84FFAR1LAP3MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116574105-A Quinoline derivatives having indoleamine-2, 3-dioxygenase inhibitory activity 深圳微芯生物科技股份有限公司 2023-08-11 CN disclosed
CN-116568677-A piperidin-1-yl-N-pyridin-3-yl-2-oxoacetamide derivatives useful for the treatment of MTAP deficiency and/or MTA accumulating cancers 探戈医药股份有限公司 2023-08-08 CN disclosed
CN-110950842-B Quinoline derivatives having indoleamine-2, 3-dioxygenase inhibitory activity 深圳微芯生物科技股份有限公司 2023-06-20 CN disclosed