SCHEMBL29617632

SCHEMBL29617632

COC(=O)CC1CC(c2ccc(OS(=O)(=O)C(F)(F)F)cc2)CN(Cc2ccc(C(F)(F)F)cc2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.43
DRD1 P21728 1/20 0.43
DRD4 P21917 1/20 0.43
DRD5 P21918 1/20 0.43
DRD3 P35462 1/20 0.43
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PRKAA2 P54646 4/20 0.40
PRKAB2 O43741 3/20 0.40
PRKAG1 P54619 3/20 0.40
PRKAA1 Q13131 3/20 0.40
PRKAG3 Q9UGI9 3/20 0.40
PRKAG2 Q9UGJ0 3/20 0.40
PRKAB1 Q9Y478 3/20 0.40
CHRM2 P08172 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 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
SCHEMBL29087755 0.91 KDM4E (0.43) KDM4EALDH1A1PRKAA2PRKAB2PRKAG1
SCHEMBL29617620 0.91 KDM4E (0.43) KDM4EALDH1A1PRKAA2PRKAB2PRKAG1
SCHEMBL29087709 0.91 PRKAA2 (0.48) MEN1KMT2APRKAA2PRKAB2PRKAG1
SCHEMBL29617624 0.91 PRKAA2 (0.48) MEN1KMT2APRKAA2PRKAB2PRKAG1
SCHEMBL30646810 0.88 CHRM2 (0.41) KDM4EALDH1A1PRKAA2PRKAB2PRKAG1
SCHEMBL29087798 0.88 CHRM2 (0.41) KDM4EALDH1A1PRKAA2PRKAB2PRKAG1
SCHEMBL29617612 0.88 GPBAR1 (0.41) KDM4EALDH1A1CHRM2CHRM5CHRM1
SCHEMBL29617623 0.84 USP2 (0.42) KDM4EALDH1A1MEN1KMT2ACHRM2
SCHEMBL29617618 0.84 MEN1 (0.43) MEN1KMT2APRKAA2PRKAB2PRKAG1
SCHEMBL29087783 0.84 USP2 (0.42) KDM4EALDH1A1MEN1KMT2ACHRM2

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