SCHEMBL23916559

SCHEMBL23916559

C=Cc1cccc(CN2CCN(C)CC2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.57
FAAH O00519 1/20 0.56
HDAC3 O15379 3/20 0.48
HDAC4 P56524 3/20 0.48
HDAC1 Q13547 3/20 0.48
HDAC7 Q8WUI4 3/20 0.48
HDAC2 Q92769 3/20 0.48
HDAC10 Q969S8 3/20 0.48
HDAC11 Q96DB2 3/20 0.48
HDAC8 Q9BY41 3/20 0.48
HDAC6 Q9UBN7 3/20 0.48
HDAC9 Q9UKV0 3/20 0.48
HDAC5 Q9UQL6 3/20 0.48
CHKA P35790 4/20 0.48
HRH3 Q9Y5N1 1/20 0.47
AURKA O14965 1/20 0.47
AURKB Q96GD4 1/20 0.47
LMNA P02545 1/20 0.46
CA2 P00918 1/20 0.45
NCF1 P14598 1/20 0.45

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
SCHEMBL611760 0.92 FAAH (0.63) FAAHPRMT6SIGMAR1NPC1RAB9A
SCHEMBL19066596 0.92 FAAH (0.63) FAAHPRMT6SIGMAR1NPC1RAB9A
SCHEMBL19066585 0.86 FAAH (0.57) FAAHLMNASIGMAR1NPC1RAB9A
SCHEMBL30889265 0.85 PRMT6 (0.57) FAAHHRH3PRMT6
SCHEMBL610620 0.85 PRMT6 (0.57) FAAHHRH3PRMT6
SCHEMBL209815 0.84 MC4R (0.57) MC4RFAAHHDAC3HDAC4HDAC1
SCHEMBL31528202 0.84 MC4R (0.57) MC4RFAAHHDAC3HDAC4HDAC1
SCHEMBL609148 0.84 SMN1; SMN2 (0.58) FAAHHRH3PRMT6
SCHEMBL817090 0.84 SMN1; SMN2 (0.58) FAAHHRH3PRMT6
SCHEMBL12126807 0.83 MC4R (0.56) MC4RHDAC3HDAC4HDAC1HDAC7

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-3892276-A1 ISOQUINOLIN-3-YL CARBOXAMIDES AS WNT INHIBITORS BioSplice Therapeutics, Inc. (US) 2021-10-13 EP disclosed