SCHEMBL20923908

SCHEMBL20923908

CCC(C)[C@@H]1CNCCC1C

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.35
KDM4E B2RXH2 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GBA1 P04062 1/20 0.31

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
SCHEMBL21787690 0.84 KCNH2 (0.35) KCNH2KDM4ETSHRHSD17B10
SCHEMBL19523434 0.81 GBA1 (0.37) KDM4ETSHRHSD17B10GBA1
SCHEMBL24449567 0.81 KCNH2 (0.33) KCNH2
SCHEMBL21744770 0.79 TRPA1 (0.31) KCNH2GBA1
SCHEMBL24267942 0.79 TRPA1 (0.31) KCNH2GBA1
SCHEMBL21188034 0.79 TRPA1 (0.31) KCNH2GBA1
SCHEMBL24267777 0.79 TRPA1 (0.31) KCNH2GBA1
SCHEMBL25091193 0.79 TRPA1 (0.31) KCNH2GBA1
SCHEMBL9920196 0.79 TRPA1 (0.31) KCNH2GBA1
SCHEMBL24040234 0.74 KCNH2 (0.34) KCNH2KDM4ETSHRHSD17B10GBA1

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-3076860-B1 METHOD OF IMAGING LIVING TISSUE AGENCY SCIENCE TECH & RES (SG) 2019-04-24 EP disclosed