SCHEMBL25438112

SCHEMBL25438112

CC(C)(C)N1CCC2(CC1)CN(S(=O)(=O)c1ccc(S(C)(=O)=O)cc1)c1ccccc12

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 19/20 0.42
ACLY P53396 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
SCHEMBL30733401 0.85 NOTUM (0.45) NPY5RACLY
SCHEMBL25278918 0.82 NPY5R (0.42) NPY5RACLY
SCHEMBL25232054 0.82 HDAC1 (0.53) NPY5R
SCHEMBL26969716 0.79 ACLY (0.44) NPY5RACLY
SCHEMBL17969882 0.77 HTR6 (0.46) NPY5R
SCHEMBL25281306 0.76 GNRHR (0.43) NPY5RACLY
SCHEMBL30733423 0.75 KCNN4 (0.47) ACLY
SCHEMBL26969745 0.74 HDAC1 (0.41) NPY5RACLY
SCHEMBL26969767 0.74 ALDH1A1 (0.49) NPY5R
SCHEMBL26969695 0.73 HDAC1 (0.48) NPY5R

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-4192957-A2 TRPML MODULATORS Casma Therapeutics, Inc. (US) 2023-06-14 EP disclosed
WO-2022032073-A2 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2022-02-10 WO disclosed