SCHEMBL30503589

SCHEMBL30503589

CC(C)(C)c1cccc([C@@]2(O)CCC3(CN(C(=O)O)C3)C2)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.38
OPRM1 P35372 4/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SCD O00767 1/20 0.36
SCD5 Q86SK9 1/20 0.36
OPRL1 P41146 3/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
MGLL Q99685 5/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
GRIN2B Q13224 2/20 0.34
CHRM4 P08173 1/20 0.33
NOTUM Q6P988 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
SCHEMBL26631356 1.00 HSD11B1 (0.38) HSD11B1OPRM1MEN1KMT2ASCD
SCHEMBL25412048 0.91 OPRM1 (0.40) HSD11B1OPRM1MEN1KMT2ASCD
SCHEMBL25424453 0.89 MEN1 (0.40) HSD11B1OPRM1MEN1KMT2AOPRL1
SCHEMBL29497407 0.86 SCD5 (0.38) SCD5TSHR
SCHEMBL29497378 0.86 SCD5 (0.38) SCD5TSHR
SCHEMBL29469977 0.78 TACR1 (0.43) MEN1KMT2ASCD5TSHROPRD1
SCHEMBL30104755 0.78 TACR1 (0.43) MEN1KMT2ASCD5TSHROPRD1
SCHEMBL29427116 0.78 TACR1 (0.41) OPRM1MEN1KMT2ASCD5OPRL1
SCHEMBL29427157 0.78 TACR1 (0.41) OPRM1MEN1KMT2ASCD5OPRL1
SCHEMBL26631402 0.78 TACR1 (0.41) OPRM1MEN1KMT2ASCD5OPRL1

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
CN-116323557-A Cyclobutylamide monoacylglycerol lipase modulators 詹森药业有限公司 2023-06-23 CN disclosed