Butane

Butane

SCHEMBL7930680

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

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.39
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 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
SCHEMBL3900301 0.95 PNMT (0.40) PNMTNPC1RAB9ADRD2DRD4
Butane SCHEMBL7921919 0.75 PNMT (0.36) PNMTNPC1RAB9A
Butane SCHEMBL7928013 0.74 PNMT (0.39) PNMTNPC1RAB9ADRD2DRD4
SCHEMBL7928034 0.73 PNMT (0.37) PNMTNPC1RAB9A
Butane SCHEMBL7933880 0.71 PNMT (0.39) PNMTNPC1RAB9ADRD2DRD4
Butane SCHEMBL7921926 0.71 PNMT (0.37) PNMTNPC1RAB9A
SCHEMBL27348144 0.69 PNMT (0.45) PNMTNPC1RAB9ADRD2DRD4
Butane SCHEMBL4873910 0.69
Butane SCHEMBL7921892 0.68 NPC1 (0.41) PNMTNPC1RAB9ADRD2DRD4
SCHEMBL28220071 0.68 PNMT (0.44) PNMTNPC1RAB9ADRD2DRD4

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
EP-0946610-B1 HIGH ACTIVITY METALLOCENE POLYMERIZATION PROCESS EXXONMOBIL CHEM PATENTS INC (US) 2001-11-28 EP disclosed
US-6180736-B1 USING SUPPORT AND A COMPLEX FORMED BY ACTIVATING A GROUP 3, 4, 5, OR 6 METALLOCENE COMPRISING UNSUBSTITUTED (TETRAHYDRO) INDENYL LIGAND AND UNSUBSTITUTED CYCLOPENTADIENYL LIGAND; ETHYLENE POLYMERS WITH NARROW MOLECULAR WEIGHT DISTRIBUTION EXXON CHEMICAL PATENTS INC 2001-01-30 US disclosed