SCHEMBL24429015

SCHEMBL24429015

CC(C)C#CCN1CCC(F)(F)CC1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43
CHRM1 P11229 11/20 0.38
CHRM2 P08172 10/20 0.38
CHRM4 P08173 10/20 0.38
CHRM5 P08912 10/20 0.38
CHRM3 P20309 10/20 0.38
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL24428834 0.84 CHRM1 (0.38) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL12794001 0.81 CHRM1 (0.39) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL20028308 0.79 NOS3 (0.45) NOS3NOS1NOS2CHRM1CHRM2
SCHEMBL22725674 0.79 LMNA (0.52) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL20927591 0.79 LMNA (0.59) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL22509491 0.78 NOS3 (0.44) NOS3NOS1NOS2CHRM1CHRM2
SCHEMBL24428829 0.77 CHRM2 (0.33) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL12793998 0.77 LMNA (0.56) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL27012448 0.77 CHRM2 (0.33) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL23696509 0.75 CYP2D6 (0.42) CHRM1CHRM2CHRM4CHRM5CHRM3

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-3519393-B1 SUBSTITUTED FUSED BI- OR TRI- HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS EPIZYME INC (US) 2022-05-18 EP disclosed