SCHEMBL29617604

SCHEMBL29617604

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.42
HTR2C P28335 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
P2RY14 Q15391 1/20 0.40
CHRNB2 P17787 2/20 0.39
CHRNA4 P43681 2/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39

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
SCHEMBL9926849 1.00 KCNH2 (0.42) KCNH2HTR2CKDM4EALDH1A1POLB
SCHEMBL29087760 0.86 HTR2C (0.45) HTR2CALDH1A1POLBCHRNB2CHRNA4
SCHEMBL29087715 0.85 EPHX2 (0.39) KCNH2KDM4EGAACHRNB2CHRNA4
SCHEMBL27798006 0.85 P2RY14 (0.45) KCNH2HTR2CP2RY14CHRNB2CHRNA4
Acetic Acid SCHEMBL9894871 0.84 PSEN1 (0.44) KCNH2HTR2CCYP3A4CYP2D6CYP2C9
SCHEMBL29087674 0.84 ALDH1A1 (0.41) ALDH1A1CYP2C19CHRNB2CHRNA4CHRNB4
SCHEMBL8267837 0.82 S1PR4 (0.44) KCNH2KDM4EALDH1A1POLBGAA
SCHEMBL14984450 0.81 DGAT1 (0.47) HTR2CKDM4EALDH1A1POLBGAA
SCHEMBL29087734 0.81 SLC6A2 (0.41)
SCHEMBL641276 0.79 HTR2C (0.43) KCNH2HTR2CKDM4EALDH1A1POLB

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