SCHEMBL3900301

SCHEMBL3900301

C1=CCC([Hf]c2cccc3c2Cc2ccccc2-3)=C1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.40
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HTR7 P34969 1/20 0.33
HTR2B P41595 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
PGR P06401 1/20 0.32
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA4 P22748 1/20 0.30
CA6 P23280 1/20 0.30
MAOA P21397 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
Butane SCHEMBL7930680 0.95 PNMT (0.39) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL27348144 0.73 PNMT (0.45) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL28286932 0.72 PNMT (0.44) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL28220071 0.72 PNMT (0.44) PNMTNPC1RAB9AHTR7HTR2B
Hydrochloric Acid SCHEMBL27425148 0.71 PNMT (0.42) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL566018 0.71 PNMT (0.40) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL8765347 0.70 PNMT (0.39) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL524602 0.69 PNMT (0.63) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL30103334 0.69 PNMT (0.63) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL9073162 0.69 PNMT (0.41) PNMTNPC1RAB9AHTR7HTR2B

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
WO-2009123609-A1 THERMOPLASTIC VULCANIZATES ADVANCED ELASTOMER SYSTEMS, L.P. (US) 2009-10-08 WO disclosed