SCHEMBL7613461

SCHEMBL7613461

C1=CC(CCc2cccc3c2Cc2ccccc2-3)c2ccccc21.[Hf]

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.47
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
HTR6 P50406 1/20 0.35
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL7647636 0.99 PNMT (0.48) PNMTDRD2DRD4DRD3HTR6
SCHEMBL7604393 0.97 PNMT (0.47) PNMTDRD2DRD4DRD3HTR6
Hydrochloric Acid SCHEMBL5357721 0.96 PNMT (0.46) PNMTDRD2DRD4DRD3HTR6
Hydrochloric Acid SCHEMBL5346729 0.96 PNMT (0.46) PNMTDRD2DRD4DRD3HTR6
SCHEMBL8857127 0.91 PNMT (0.46) PNMTDRD2DRD4DRD3HTR6
Hydrochloric Acid SCHEMBL7609023 0.89 PNMT (0.44) PNMTDRD2DRD4DRD3HTR6
SCHEMBL7638914 0.86 PNMT (0.50) PNMTDRD2DRD4DRD3HTR6
Hydrochloric Acid SCHEMBL6558664 0.84 PNMT (0.48) PNMTDRD2DRD4DRD3HTR6
SCHEMBL3684526 0.76 HTR6 (0.36) HTR6
SCHEMBL7609046 0.76 PNMT (0.70) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0524624-B1 Use of organometallic flurorenyl compounds. PHILLIPS PETROLEUM CO (US) 2002-05-15 EP claimed