SCHEMBL29617602

SCHEMBL29617602

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

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 5/20 0.52
S1PR1 P21453 5/20 0.52
GRK5 P34947 1/20 0.52
CDK8 P49336 1/20 0.52
CHRM4 P08173 1/20 0.48
PDGFRA P16234 1/20 0.48
OPRL1 P41146 1/20 0.43
HIF1A Q16665 1/20 0.43
EPAS1 Q99814 1/20 0.43
FAAH O00519 1/20 0.43
SIGMAR1 Q99720 3/20 0.42
TRPV6 Q9H1D0 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL29087682 0.92 S1PR5 (0.45) S1PR5S1PR1GRK5CDK8CHRM4
SCHEMBL29087685 0.92 S1PR5 (0.45) S1PR5S1PR1GRK5CDK8CHRM4
SCHEMBL30646801 0.92 S1PR5 (0.45) S1PR5S1PR1GRK5CDK8CHRM4
SCHEMBL29617643 0.92 S1PR5 (0.45) S1PR5S1PR1GRK5CDK8CHRM4
SCHEMBL29617640 0.89 S1PR5 (0.52) S1PR5S1PR1GRK5CDK8CHRM4
SCHEMBL29087736 0.89 CHRM2 (0.46) S1PR5S1PR1GRK5CDK8HIF1A
SCHEMBL29087738 0.89 CHRM2 (0.46) S1PR5S1PR1GRK5CDK8HIF1A
SCHEMBL29617639 0.89 CHRM2 (0.46) S1PR5S1PR1GRK5CDK8HIF1A
SCHEMBL30646815 0.88 KMT2A (0.48) S1PR5S1PR1GRK5CDK8CHRM4
SCHEMBL29087678 0.87 CHRM2 (0.52) S1PR5S1PR1GRK5CDK8CHRM4

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
EP-4247374-A1 SMALL MOLECULE COMPOUNDS AND COMPOSITIONS Telo Therapeutics, Inc. (US) 2023-09-27 EP disclosed
WO-2022109209-A1 SMALL MOLECULE COMPOUNDS AND COMPOSITIONS TELO THERAPEUTICS, INC. (US) 2022-05-27 WO disclosed