SCHEMBL31033440

SCHEMBL31033440

NCCCC1CC2CCC1C2

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
OPRK1 P41145 4/20 0.33
EPHX2 P34913 2/20 0.31
MCHR1 Q99705 1/20 0.31
SIGMAR1 Q99720 2/20 0.30
GRIN2D O15399 2/20 0.30
GRIN3B O60391 2/20 0.30
GRIN1 Q05586 2/20 0.30
GRIN2A Q12879 2/20 0.30
GRIN2B Q13224 2/20 0.30
GRIN2C Q14957 2/20 0.30
GRIN3A Q8TCU5 2/20 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
SCHEMBL625637 0.86 MEN1 (0.37) MEN1NPC1RAB9AKMT2ACHRNB2
SCHEMBL3447574 0.86 MEN1 (0.39) MEN1NPC1RAB9AKMT2AOPRK1
SCHEMBL25233759 0.81 MEN1 (0.41) MEN1NPC1RAB9AKMT2AOPRK1
SCHEMBL9908423 0.78 MEN1 (0.39) MEN1NPC1RAB9AKMT2AOPRK1
SCHEMBL7129953 0.78 CYP1A2 (0.37) MEN1NPC1RAB9AKMT2AOPRK1
SCHEMBL15373732 0.77 MEN1 (0.41) MEN1NPC1RAB9AKMT2AOPRK1
SCHEMBL19746512 0.77 MEN1 (0.41) MEN1NPC1RAB9AKMT2AOPRK1
SCHEMBL3316247 0.77 MEN1 (0.41) MEN1NPC1RAB9AKMT2AOPRK1
SCHEMBL20860351 0.77
SCHEMBL24521730 0.77

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-2024175905-A1 DIMER COMPOUNDS Kesmalea Therapeutics Limited (GB) 2024-08-29 WO disclosed