SCHEMBL31645166

SCHEMBL31645166

COC(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)c(C)cc1O

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 14/20 0.53
HCRTR2 O43614 14/20 0.53
CASP3 P42574 1/20 0.47
TSHR P16473 1/20 0.45
HSD11B1 P28845 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL31644771 0.96 HCRTR1 (0.49) HCRTR1HCRTR2CASP3TSHRHSD11B1
SCHEMBL31644657 0.84 KMT2A (0.64) HCRTR1HCRTR2CASP3TSHRKMT2A
SCHEMBL31644589 0.82 HCRTR1 (0.56) HCRTR1HCRTR2CASP3TSHRKMT2A
SCHEMBL4609883 0.81 ACLY (0.55) HCRTR1HCRTR2CASP3HSD11B1
SCHEMBL31644712 0.79 CASP3 (0.54) HCRTR1HCRTR2CASP3KMT2A
SCHEMBL31645394 0.79 CASP3 (0.49) HCRTR1HCRTR2CASP3TSHRKMT2A
SCHEMBL31644694 0.78 RORC (0.51) HCRTR1HCRTR2CASP3TSHRHSD11B1
SCHEMBL31644477 0.76 KMT2A (0.63) HCRTR1HCRTR2TSHRKMT2A
SCHEMBL31644755 0.76 HCRTR1 (0.69) HCRTR1HCRTR2CASP3TSHRKMT2A
SCHEMBL3901904 0.76 ITGB1 (0.59) HCRTR1HCRTR2CASP3

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
WO-2025132542-A1 MACROCYCLIC OREXIN AGONISTS IDORSIA PHARMACEUTICALS LTD (CH) 2025-06-26 WO disclosed