SCHEMBL29617620

SCHEMBL29617620

COC(=O)C[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)CN(Cc2ccc(C(F)(F)F)cc2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
CHRM2 P08172 1/20 0.43
CHRM5 P08912 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
MAPK1 P28482 2/20 0.42
ALDH1A1 P00352 2/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
OPRL1 P41146 1/20 0.42
TEAD1 P28347 2/20 0.42
HIF1A Q16665 3/20 0.42
EPAS1 Q99814 3/20 0.42
FAAH O00519 1/20 0.42
CYP3A4 P08684 2/20 0.41
MAPT P10636 1/20 0.41
PRKAB2 O43741 1/20 0.41
PRKAG1 P54619 1/20 0.41
PRKAA2 P54646 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
SCHEMBL29087755 1.00 KDM4E (0.43) KDM4ECHRM2CHRM5CHRM1CHRM3
SCHEMBL29617612 0.96 GPBAR1 (0.41) KDM4ECHRM2CHRM5CHRM1CHRM3
SCHEMBL30646810 0.96 CHRM2 (0.41) KDM4ECHRM2CHRM5CHRM1CHRM3
SCHEMBL29087798 0.96 CHRM2 (0.41) KDM4ECHRM2CHRM5CHRM1CHRM3
SCHEMBL29087709 0.95 PRKAA2 (0.48) POLBMAPTPRKAB2PRKAG1PRKAA2
SCHEMBL29617624 0.95 PRKAA2 (0.48) POLBMAPTPRKAB2PRKAG1PRKAA2
SCHEMBL29087783 0.92 USP2 (0.42) KDM4ECHRM2CHRM5CHRM1CHRM3
SCHEMBL29617623 0.92 USP2 (0.42) KDM4ECHRM2CHRM5CHRM1CHRM3
SCHEMBL29617597 0.92 CHRM2 (0.39) KDM4ECHRM2CHRM5CHRM1CHRM3
SCHEMBL29617632 0.91 DRD2 (0.43) KDM4ECHRM2CHRM5CHRM1CHRM3

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