SCHEMBL29617624

SCHEMBL29617624

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 7/20 0.48
PRKAB2 O43741 6/20 0.48
PRKAG1 P54619 6/20 0.48
PRKAA1 Q13131 6/20 0.48
PRKAG3 Q9UGI9 6/20 0.48
PRKAG2 Q9UGJ0 6/20 0.48
PRKAB1 Q9Y478 6/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
PIK3CA P42336 1/20 0.45
KCNH2 Q12809 2/20 0.43
CACNA1G O43497 1/20 0.43
MAPT P10636 1/20 0.43
RECQL P46063 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CCR2 P41597 2/20 0.42
GSK3B P49841 1/20 0.42
KCNA5 P22460 1/20 0.42
CHRM4 P08173 1/20 0.42
POLB P06746 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
SCHEMBL29087709 1.00 PRKAA2 (0.48) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL29617620 0.95 KDM4E (0.43) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL29087755 0.95 KDM4E (0.43) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL29617618 0.91 MEN1 (0.43) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL29087797 0.91 MEN1 (0.43) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL30646806 0.91 MEN1 (0.48) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL29087798 0.91 CHRM2 (0.41) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL29617612 0.91 GPBAR1 (0.41) KCNH2CACNA1GMAPTPOLB
SCHEMBL30646807 0.91 MEN1 (0.48) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL30646810 0.91 CHRM2 (0.41) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3

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 3 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
CN-116710431-A Small molecule compounds and compositions 泰洛治疗公司 2023-09-05 CN disclosed
WO-2022109209-A1 SMALL MOLECULE COMPOUNDS AND COMPOSITIONS TELO THERAPEUTICS, INC. (US) 2022-05-27 WO disclosed