SCHEMBL25359397

SCHEMBL25359397

C[C@H]1C[C@@]2(CCN1C(=O)O)OCCc1cc(C=O)sc12

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 18/20 0.34
RORC P51449 1/20 0.33

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
SCHEMBL25359632 0.89 OPRL1 (0.34) OPRL1
SCHEMBL25358584 0.87 OPRL1 (0.35) OPRL1RORC
SCHEMBL25361816 0.87 OPRL1 (0.35) OPRL1RORC
SCHEMBL25358272 0.87 OPRL1 (0.35) OPRL1RORC
SCHEMBL31387307 0.86 JAK2 (0.34) OPRL1RORC
SCHEMBL26059139 0.86 JAK2 (0.34) OPRL1RORC
SCHEMBL25359152 0.86 OPRL1 (0.46) OPRL1RORC
SCHEMBL25356713 0.86 OPRL1 (0.34) OPRL1RORC
SCHEMBL25356900 0.86 OPRL1 (0.46) OPRL1RORC
SCHEMBL25357915 0.86 OPRL1 (0.34) OPRL1RORC

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-2023154344-A1 2-METHYL-4',5'-DIHYDROSPIRO[PIPERIDINE-4,7'-THIENO[2,3-C]PYRAN] DERIVATIVES AS INHIBITORS OF APOL1 AND METHODS OF USING SAME VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-08-17 WO disclosed