SCHEMBL29617640

SCHEMBL29617640

O=C(O)C[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)CN(Cc2cccc(C(F)(F)F)c2)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 6/20 0.52
S1PR1 P21453 5/20 0.52
GRK5 P34947 1/20 0.52
CDK8 P49336 1/20 0.52
PDGFRA P16234 1/20 0.48
FAAH O00519 1/20 0.47
ALDH1A1 P00352 2/20 0.47
SIGMAR1 Q99720 2/20 0.47
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
LMNA P02545 1/20 0.45
CHRM2 P08172 1/20 0.44
CHRM5 P08912 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
DRD4 P21917 1/20 0.43
KCNH2 Q12809 1/20 0.43
CACNA1I Q9P0X4 1/20 0.43

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
SCHEMBL29087678 0.91 CHRM2 (0.52) S1PR5S1PR1GRK5CDK8FAAH
SCHEMBL29087681 0.91 CHRM2 (0.52) S1PR5S1PR1GRK5CDK8FAAH
SCHEMBL29617602 0.89 S1PR5 (0.52) S1PR5S1PR1GRK5CDK8PDGFRA
SCHEMBL29087736 0.89 CHRM2 (0.46) S1PR5S1PR1GRK5CDK8FAAH
SCHEMBL29087738 0.89 CHRM2 (0.46) S1PR5S1PR1GRK5CDK8FAAH
SCHEMBL29617639 0.89 CHRM2 (0.46) S1PR5S1PR1GRK5CDK8FAAH
SCHEMBL29087771 0.88 L3MBTL1 (0.48) S1PR5S1PR1GRK5CDK8PDGFRA
SCHEMBL29087769 0.88 L3MBTL1 (0.48) S1PR5S1PR1GRK5CDK8PDGFRA
SCHEMBL29617609 0.88 ALDH1A1 (0.47) S1PR5S1PR1GRK5CDK8PDGFRA
SCHEMBL30646817 0.87 S1PR5 (0.43) S1PR5S1PR1GRK5CDK8FAAH

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