SCHEMBL7945368

SCHEMBL7945368

CC(C)(C)C1=CCC(Cc2cccc3c2Cc2ccccc2-3)=C1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.48
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HTR7 P34969 1/20 0.30
HTR2B P41595 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA4 P22748 1/20 0.30
CA6 P23280 1/20 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
SCHEMBL7946952 0.83 PNMT (0.51) PNMTDRD2DRD4DRD3NPC1
SCHEMBL7195192 0.75 PNMT (0.72) PNMTDRD2DRD4DRD3NPC1
SCHEMBL3994174 0.74 PNMT (0.54) PNMTDRD2DRD4DRD3NPC1
SCHEMBL7606240 0.74 PNMT (0.70) PNMTDRD2DRD4DRD3NPC1
SCHEMBL7607164 0.74 PNMT (0.70) PNMTDRD2DRD4DRD3NPC1
SCHEMBL7677548 0.73 PNMT (0.53) PNMTDRD2DRD4DRD3NPC1
Hydrochloric Acid SCHEMBL5352118 0.72 PNMT (0.68) PNMTDRD2DRD4DRD3NPC1
Hydrochloric Acid SCHEMBL5353647 0.72 PNMT (0.68) PNMTDRD2DRD4DRD3NPC1
Hydrochloric Acid SCHEMBL5353661 0.72 PNMT (0.68) PNMTDRD2DRD4DRD3NPC1
Hydrochloric Acid SCHEMBL7190352 0.72 PNMT (0.51) PNMTDRD2DRD4DRD3NPC1

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
US-6255508-B1 COORDINATION CATALYST; ALPHA-OLEFIN POLYMERIZATION CATALYST TARGOR GMBH (DE) 2001-07-03 US disclosed
US-5945553-A Process for preparing a methylene-bridged biscyclopentadienyl compound TARGOR GMBH (DE) 1999-08-31 US disclosed