SCHEMBL25572016

SCHEMBL25572016

CC(C)(C)OC(=O)N1CCC(CSc2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.52
KDM4E B2RXH2 2/20 0.50
MAPT P10636 2/20 0.50
PKM P14618 1/20 0.50
GPR119 Q8TDV5 10/20 0.49
STS P08842 1/20 0.47
RORC P51449 1/20 0.45
P2RY14 Q15391 1/20 0.44
MMP13 P45452 1/20 0.44
THRB P10828 1/20 0.43

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
SCHEMBL5453826 0.86 GPR119 (0.51) KDM4EMAPTPKMGPR119THRB
SCHEMBL4248138 0.85 KDM4E (0.60) TGFBR1KDM4EMAPTPKMGPR119
SCHEMBL23329642 0.85 ALDH1A1 (0.59) TGFBR1KDM4EPKMGPR119STS
SCHEMBL7787129 0.84 STS (0.48) TGFBR1KDM4EMAPTPKMGPR119
SCHEMBL4773741 0.83 MAPT (0.54) TGFBR1KDM4EMAPTPKMGPR119
SCHEMBL796552 0.82 KDM4E (0.57) TGFBR1KDM4EPKMGPR119STS
SCHEMBL22585197 0.82 PTPN2 (0.47) KDM4EMAPTPKMGPR119MMP13
SCHEMBL16112715 0.82 TGFBR1 (0.54) TGFBR1KDM4EMAPTPKMGPR119
SCHEMBL29716377 0.81 GPR119 (0.63) TGFBR1KDM4EMAPTPKMGPR119
SCHEMBL20015404 0.81 MAOB (0.54) TGFBR1KDM4EMAPTPKMGPR119

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3247707-B1 4-METHYLSULFONYL-SUBSTITUTED PIPERIDINE UREA COMPOUNDS USEFUL FOR THE TREATMENT OF CARDIAC DISORDERS SUCH AS DILATED CARDIOMYOPATHY (DCM) MYOKARDIA INC (US) 2023-05-31 EP disclosed