SCHEMBL29617601

SCHEMBL29617601

COC(=O)CC1CC(c2cccc(OC)c2)CN(Cc2ccc(C(F)(F)F)cc2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
PRKAA2 P54646 4/20 0.43
PRKAB2 O43741 3/20 0.43
PRKAG1 P54619 3/20 0.43
PRKAA1 Q13131 3/20 0.43
PRKAG3 Q9UGI9 3/20 0.43
PRKAG2 Q9UGJ0 3/20 0.43
PRKAB1 Q9Y478 3/20 0.43
CCR2 P41597 3/20 0.43
KCNH2 Q12809 2/20 0.43
ELOVL6 Q9H5J4 1/20 0.42
GSK3B P49841 1/20 0.42
CYP3A4 P08684 2/20 0.41
ATM Q13315 1/20 0.41
PIK3CA P42336 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PDGFRA P16234 1/20 0.41
S1PR1 P21453 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
SCHEMBL29087705 1.00 CHRM4 (0.45) CHRM4MEN1KMT2APRKAA2PRKAB2
SCHEMBL30646815 0.92 KMT2A (0.48) CHRM4MEN1KMT2APRKAA2PRKAB2
SCHEMBL29087767 0.92 S1PR5 (0.46) CHRM4MEN1KMT2ACCR2CYP3A4
SCHEMBL29617629 0.91 CCR2 (0.46) MEN1KMT2ACCR2ELOVL6CACNA1G
SCHEMBL30646811 0.91 CCR2 (0.46) MEN1KMT2ACCR2ELOVL6CACNA1G
SCHEMBL29617618 0.90 MEN1 (0.43) MEN1KMT2APRKAA2PRKAB2PRKAG1
SCHEMBL29087797 0.90 MEN1 (0.43) MEN1KMT2APRKAA2PRKAB2PRKAG1
SCHEMBL29087709 0.89 PRKAA2 (0.48) CHRM4MEN1KMT2APRKAA2PRKAB2
SCHEMBL29617624 0.89 PRKAA2 (0.48) CHRM4MEN1KMT2APRKAA2PRKAB2
SCHEMBL29087755 0.87 KDM4E (0.43) 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 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