SCHEMBL868286

SCHEMBL868286

C1=CCC([Zr](C2=CC=CC2)(c2cccc3c2Cc2ccccc2-3)c2cccc3c2Cc2ccccc2-3)=C1

nearest known ligand 0.44

Predicted protein targets (top 15)

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
SRD5A2 P31213 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
Hydrochloric Acid SCHEMBL28666686 0.92 PNMT (0.36) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL7078761 0.87 PNMT (0.39) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL6061530 0.83 NPC1 (0.41) PNMTNPC1RAB9AHTR7HTR2B
Hydrochloric Acid SCHEMBL28547930 0.83 PNMT (0.36) PNMTNPC1RAB9AHTR7HTR2B
Ethane SCHEMBL8631439 0.82 PNMT (0.35) PNMTNPC1RAB9AHTR7HTR2B
Hydrochloric Acid SCHEMBL3116460 0.82 NPC1 (0.40) PNMTNPC1RAB9AHTR7HTR2B
Hydrochloric Acid SCHEMBL5695990 0.81 PNMT (0.38) PNMTNPC1RAB9AHTR7HTR2B
Hydrochloric Acid SCHEMBL7168372 0.81 PNMT (0.35) PNMTNPC1RAB9AHTR7HTR2B
Hydrochloric Acid SCHEMBL9069599 0.79 NPC1 (0.35) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL8065204 0.79 PNMT (0.33) PNMTNPC1RAB9ASRD5A2MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8802305-B2 Fuel cell system and processes GM Global Technology Operations LLC (US) 2014-08-12 US disclosed
US-8147592-B2 Using a metallocene to remove oxygen from a stream of gas THE BOEING COMPANY (US) 2012-04-03 US disclosed
US-20120077096-A1 FUEL CELL SYSTEM AND PROCESSES GM GLOBAL TECHNOLOGY OPERATIONS, INC. (US) 2012-03-29 US disclosed
US-20090230248-A1 USING A METALLOCENE TO REMOVE OXYGEN FROM A STREAM OF GAS THE BOEING COMPANY (US) 2009-09-17 US disclosed
US-5627247-A COMPOUNDS OF CYCLOPENTADIENE OR INDENE WITH FLUORENE AND GROUP IV METALS PHILLIPS PETROLEUM COMPANY (US) 1997-05-06 US disclosed