SCHEMBL31316554

SCHEMBL31316554

CC(C)(C)OC(=O)N1CCC2(CCN(C(=O)C3CC3)CC2)C1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.58
RECQL P46063 1/20 0.56
CYP11B2 P19099 1/20 0.50
ACACB O00763 5/20 0.47
GRM5 P41594 1/20 0.44
SCD5 Q86SK9 1/20 0.43
HDAC2 Q92769 2/20 0.43
EPHX2 P34913 2/20 0.42
HSD17B10 Q99714 1/20 0.42
PREP P48147 1/20 0.41
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HDAC1 Q13547 1/20 0.40

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
SCHEMBL21981354 0.94 HPGD (0.58) HPGDRECQLCYP11B2ACACBGRM5
SCHEMBL26131546 0.89 HPGD (0.56) HPGDRECQLCYP11B2ACACBGRM5
SCHEMBL6868004 0.86 CYP11B2 (0.54) HPGDCYP11B2ACACBSCD5HDAC2
SCHEMBL29663182 0.84 HPGD (0.56) HPGDRECQLGRM5EPHX2HSD17B10
SCHEMBL31717436 0.84 HSD17B10 (0.47) HPGDRECQLCYP11B2ACACBSCD5
SCHEMBL24697198 0.84 CYP11B2 (0.48) HPGDRECQLCYP11B2ACACBSCD5
SCHEMBL31705959 0.83 HPGD (0.59) HPGDRECQLCYP11B2ACACBGRM5
SCHEMBL2820688 0.83 HPGD (0.72) HPGDRECQLHSD17B10PREPUSP2
SCHEMBL23906185 0.83 CYP11B2 (0.52) HPGDCYP11B2ACACBSCD5HDAC2
SCHEMBL25275679 0.83 CYP11B2 (0.52) HPGDCYP11B2ACACBSCD5HDAC2

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-2025010311-A1 UREA-CONTAINING AGONISTS OF OREXIN RECEPTOR TYPE 2 VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-01-09 WO disclosed