SCHEMBL23192562

SCHEMBL23192562

CC(C)(C)OC(=O)N1CCC2(CC1)OCCc1cc(C=O)sc12

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
AVPR1A P37288 1/20 0.37
GPR119 Q8TDV5 2/20 0.36
POLB P06746 1/20 0.36
ESR2 Q92731 1/20 0.36
OPRL1 P41146 9/20 0.35
HRH3 Q9Y5N1 1/20 0.35
NR1H2 P55055 1/20 0.35

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
SCHEMBL1810886 0.86 OPRL1 (0.48) USP2SMN1; SMN2POLBESR2OPRL1
SCHEMBL26066372 0.86 USP2 (0.39) USP2SMN1; SMN2AVPR1AGPR119ESR2
SCHEMBL1805309 0.86 OPRL1 (0.48) OPRL1
SCHEMBL18579656 0.85 RORC (0.40) USP2SMN1; SMN2AVPR1AGPR119ESR2
SCHEMBL21710432 0.84 RORC (0.43) USP2SMN1; SMN2OPRL1NR1H2
SCHEMBL31387307 0.84 JAK2 (0.34) OPRL1
SCHEMBL26059139 0.84 JAK2 (0.34) OPRL1
SCHEMBL18646542 0.82 USP2 (0.35) USP2SMN1; SMN2AVPR1AGPR119HRH3
SCHEMBL1807425 0.80 OPRL1 (0.47) USP2SMN1; SMN2AVPR1AGPR119ESR2
SCHEMBL26064355 0.76 USP2 (0.36) USP2SMN1; SMN2AVPR1AGPR119

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-3589638-B1 COMPOUNDS USEFUL FOR INHIBITING ROR-GAMMA-T LILLY CO ELI (US) 2021-04-07 EP disclosed