SCHEMBL29329312

SCHEMBL29329312

CCN1CCC2(CCCN(I)C2)CC1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.40
CYP3A4 P08684 5/20 0.31
USP2 O75604 3/20 0.31
CYP2C19 P33261 1/20 0.31
CYP2D6 P10635 7/20 0.31
CYP1A2 P05177 1/20 0.31
KDM4E B2RXH2 1/20 0.30
GAA P10253 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
SCHEMBL25924931 0.84 KMT2A (0.37)
SCHEMBL22851873 0.84 TSHR (0.44) TSHRKDM4EGAA
SCHEMBL20970888 0.83 TSHR (0.42) TSHRCYP3A4USP2CYP2C19CYP2D6
SCHEMBL25090104 0.82 TSHR (0.52) TSHRCYP3A4USP2CYP2C19CYP2D6
SCHEMBL18938451 0.79 USP2 (0.32) TSHRCYP3A4USP2CYP2C19CYP2D6
SCHEMBL19046977 0.79 GRM5 (0.31)
SCHEMBL24919170 0.79
SCHEMBL18390933 0.78 USP2 (0.49) TSHRCYP3A4USP2CYP2C19CYP2D6
SCHEMBL20328047 0.78 TSHR (0.52) TSHR
SCHEMBL29329315 0.78 USP2 (0.36) TSHRCYP3A4USP2CYP2C19CYP2D6

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