SCHEMBL29617609

SCHEMBL29617609

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
S1PR1 P21453 5/20 0.46
S1PR5 Q9H228 5/20 0.46
GRK5 P34947 1/20 0.46
CDK8 P49336 1/20 0.46
PDGFRA P16234 1/20 0.45
FAAH O00519 1/20 0.45
OPRL1 P41146 1/20 0.45
SIGMAR1 Q99720 2/20 0.44
PRKD3 O94806 1/20 0.43
CDK7 P50613 1/20 0.43
JAK3 P52333 1/20 0.43
TNK2 Q07912 1/20 0.43
PAX8 Q06710 1/20 0.43
DRD4 P21917 1/20 0.43
KCNH2 Q12809 1/20 0.42
CACNA1I Q9P0X4 1/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
CACNA1G O43497 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
SCHEMBL29617629 0.92 CCR2 (0.46) ALDH1A1FAAHDRD4KDM4ECACNA1G
SCHEMBL30646811 0.92 CCR2 (0.46) ALDH1A1FAAHDRD4KDM4ECACNA1G
SCHEMBL29087767 0.90 S1PR5 (0.46) ALDH1A1S1PR1S1PR5GRK5CDK8
SCHEMBL29617620 0.90 KDM4E (0.43) ALDH1A1FAAHOPRL1KDM4EGAA
SCHEMBL29087755 0.90 KDM4E (0.43) ALDH1A1FAAHOPRL1KDM4EGAA
SCHEMBL29617640 0.88 S1PR5 (0.52) ALDH1A1S1PR1S1PR5GRK5CDK8
SCHEMBL29617605 0.87 CYP3A4 (0.41) ALDH1A1PAX8KCNH2KDM4EGAA
SCHEMBL29087730 0.87 KDM4E (0.40) ALDH1A1S1PR1S1PR5OPRL1JAK3
SCHEMBL29617612 0.86 GPBAR1 (0.41) ALDH1A1OPRL1KCNH2KDM4EGAA
SCHEMBL30646810 0.86 CHRM2 (0.41) ALDH1A1FAAHOPRL1KDM4EGAA

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