SCHEMBL29087682

SCHEMBL29087682

O=C(O)CC1CC(c2cccc(Cl)c2)CN(Cc2ccc(C(F)(F)F)cc2)C1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 6/20 0.45
S1PR1 P21453 5/20 0.45
GRK5 P34947 1/20 0.45
CDK8 P49336 1/20 0.45
PAX8 Q06710 1/20 0.44
PDGFRA P16234 1/20 0.42
MCHR1 Q99705 2/20 0.42
HIF1A Q16665 1/20 0.41
EPAS1 Q99814 1/20 0.41
FAAH O00519 1/20 0.41
CHRM4 P08173 1/20 0.41
SIGMAR1 Q99720 2/20 0.40
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
FFAR2 O15552 1/20 0.40

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
SCHEMBL29617643 1.00 S1PR5 (0.45) S1PR5S1PR1GRK5CDK8PAX8
SCHEMBL30646801 1.00 S1PR5 (0.45) S1PR5S1PR1GRK5CDK8PAX8
SCHEMBL29087685 1.00 S1PR5 (0.45) S1PR5S1PR1GRK5CDK8PAX8
SCHEMBL29617602 0.92 S1PR5 (0.52) S1PR5S1PR1GRK5CDK8PDGFRA
SCHEMBL29617613 0.87 PSEN1 (0.48) S1PR5S1PR1GRK5CDK8HIF1A
SCHEMBL30646794 0.87 PSEN1 (0.48) S1PR5S1PR1GRK5CDK8HIF1A
SCHEMBL29087732 0.87 PSEN1 (0.48) S1PR5S1PR1GRK5CDK8HIF1A
SCHEMBL29617639 0.87 CHRM2 (0.46) S1PR5S1PR1GRK5CDK8HIF1A
SCHEMBL29087738 0.87 CHRM2 (0.46) S1PR5S1PR1GRK5CDK8HIF1A
SCHEMBL29087736 0.87 CHRM2 (0.46) S1PR5S1PR1GRK5CDK8HIF1A

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-116710431-A Small molecule compounds and compositions 泰洛治疗公司 2023-09-05 CN disclosed