SCHEMBL29329315

SCHEMBL29329315

COCCN1CCC2(CCCN(I)C2)CC1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.36
HSD11B1 P28845 1/20 0.33
HDAC2 Q92769 2/20 0.32
HDAC1 Q13547 1/20 0.32
TSHR P16473 4/20 0.32
CYP2D6 P10635 5/20 0.32
CYP3A4 P08684 4/20 0.32
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
ALDH1A1 P00352 2/20 0.31
CYP2C9 P11712 1/20 0.31
CASP1 P29466 1/20 0.31
CYP2C19 P33261 1/20 0.31
HSD17B10 Q99714 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL23588941 0.78 USP2 (0.40) USP2HSD11B1HDAC2HDAC1TSHR
SCHEMBL29329312 0.78 TSHR (0.40) USP2TSHRCYP2D6CYP3A4CYP2C19
SCHEMBL25907682 0.75 HSD11B1 (0.37) USP2HSD11B1HDAC2HDAC1CYP2D6
SCHEMBL29329410 0.75 USP2 (0.31) USP2
SCHEMBL23589140 0.74 HDAC2 (0.40) USP2HSD11B1HDAC2HDAC1TSHR
SCHEMBL25001376 0.73 HSD11B1 (0.38) HSD11B1HDAC2HDAC1TSHRCYP2D6
SCHEMBL18938451 0.72 USP2 (0.32) USP2TSHRCYP2D6CYP3A4ALDH1A1
SCHEMBL24854091 0.72 HSD11B1 (0.33) HSD11B1HDAC2HDAC1CYP2D6DRD2
SCHEMBL24678300 0.72 ALDH1A1 (0.38) HSD11B1CYP2D6DRD2DRD3ALDH1A1
SCHEMBL19046977 0.72 GRM5 (0.31)

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-2024151346-A1 HETEROARYL FLUOROALKENES AS DGK INHIBITORS INCYTE CORPORATION (US) 2024-07-18 WO disclosed