SCHEMBL29626697

SCHEMBL29626697

COc1cc(C(=O)N(Cc2ccccc2)C2=Cc3cc(OC)c(OC)cc3CC2)ccc1C

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 9/20 0.45
BCHE P06276 6/20 0.45
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
LPAR1 Q92633 2/20 0.38
TAS2R14 Q9NYV8 1/20 0.38
LPAR2 Q9HBW0 1/20 0.37

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
SCHEMBL2243227 0.90 NPC1 (0.48) ACHEBCHENPC1RAB9AHTT
SCHEMBL9865544 0.90 TP53 (0.45) ACHEBCHENPC1RAB9AHTT
SCHEMBL12354613 0.79 NPC1 (0.44) NPC1RAB9ALMNAMEN1KMT2A
SCHEMBL9701184 0.76 NPC1 (0.51) ACHENPC1RAB9AHTTMEN1
SCHEMBL12354600 0.74 NPC1 (0.42) NPC1RAB9AMEN1KMT2ATAS2R14
SCHEMBL14174100 0.72 NPC1 (0.63) NPC1RAB9ALMNAMEN1KMT2A
SCHEMBL3456951 0.68 ACHE (0.65) ACHEBCHENPC1RAB9AHTT
SCHEMBL14174295 0.67 TSPO (0.59) NPC1RAB9AHTTSMN1; SMN2LMNA
SCHEMBL28858711 0.67 LMNA (0.39) NPC1RAB9ASMN1; SMN2LMNAMEN1
SCHEMBL257535 0.67 NPC1 (0.53) NPC1RAB9AHTTSMN1; SMN2LMNA

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-4003339-A2 DOPAMINE RECEPTOR D1 AGONISTS AND METHODS OF USE Sanford Burnham Prebys Medical Discovery Institute (US) 2022-06-01 EP disclosed