SCHEMBL29459161

SCHEMBL29459161

CC(C1CCCCC1)=[Hf](c1cccc2c1Cc1ccccc1-2)C1C=CC=C1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
PNMT P11086 1/20 0.33
HTR7 P34969 1/20 0.31
HTR2B P41595 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
SCHEMBL29459237 0.84 PNMT (0.32) NPC1RAB9APNMTHTR7HTR2B
SCHEMBL29459327 0.83 NPC1 (0.43) NPC1RAB9APNMTHTR7HTR2B
SCHEMBL29459211 0.80 NPC1 (0.41) NPC1RAB9APNMTHTR7HTR2B
SCHEMBL29775014 0.76 PNMT (0.37) NPC1RAB9APNMTHTR7HTR2B
SCHEMBL29459239 0.74 NPC1 (0.36) NPC1RAB9APNMTHTR7HTR2B
SCHEMBL29459181 0.74 NPC1 (0.36) NPC1RAB9APNMTHTR7HTR2B
SCHEMBL29700197 0.74 PNMT (0.36) NPC1RAB9APNMTHTR7HTR2B
SCHEMBL29976071 0.72 NPC1 (0.34) NPC1RAB9APNMTHTR7HTR2B
SCHEMBL29907869 0.71 PNMT (0.43) NPC1RAB9APNMTHTR7HTR2B
SCHEMBL30798903 0.70 PNMT (0.39) NPC1RAB9APNMTHTR7HTR2B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113906059-B Catalyst system 博里利斯股份公司 2024-03-12 CN disclosed
EP-3953403-A1 CATALYST SYSTEM Borealis AG (AT) 2022-02-16 EP disclosed