SCHEMBL6958212

SCHEMBL6958212

C=CCN1CCCN(CC=C)CCN(CC=C)CN(CC=C)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 3/20 0.35
POLB P06746 1/20 0.34
MAPT P10636 3/20 0.33
ADRA2A P08913 2/20 0.33
ADRA2B P18089 2/20 0.33
ADRA2C P18825 2/20 0.33
HRH3 Q9Y5N1 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
ADRA1A P35348 2/20 0.33
SIGMAR1 Q99720 1/20 0.33
LMNA P02545 1/20 0.33
DRD2 P14416 1/20 0.33
HTR2A P28223 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 1/20 0.33
OPRK1 P41145 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RAD52 P43351 1/20 0.33

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
SCHEMBL2314084 0.95 ADRA1A (0.34) OPRD1POLBMAPTADRA2AADRA2B
SCHEMBL1079263 0.92 OPRD1 (0.38) OPRD1MAPTADRA2AADRA2BADRA2C
SCHEMBL4410856 0.89 ADRA1A (0.37) OPRD1MAPTADRA2AADRA2BADRA2C
SCHEMBL4957978 0.89
SCHEMBL1489209 0.84
SCHEMBL88222 0.84
SCHEMBL327601 0.84 OPRD1 (0.41) OPRD1MAPTADRA2AADRA2BADRA2C
SCHEMBL290880 0.84
SCHEMBL6692977 0.84 OPRD1 (0.41) OPRD1MAPTADRA2AADRA2BADRA2C
SCHEMBL3970107 0.84 OPRD1 (0.41) OPRD1MAPTADRA2AADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6686421-B1 ADDING A TERTIARY CHELATING AMINE OR A METAL SALT OF A CYCLIC ALCOHOL TO THE TIN-COUPLED RUBBERY POLYMER FOR IMPROVING THE STABILITY OF A TIN-COUPLED RUBBERY POLYMER THE GOODYEAR TIRE & RUBBER COMPANY 2004-02-03 US disclosed
US-6180707-B1 PREVENTING RECYCLE STREAM CONTAMINATION AND NOT CO-DISTILL WITH HEXANE BY MIXING IN A HIGH BOILING SODIUM MENTHOLATE THE GOODYEAR TIRE & RUBBER COMPANY 2001-01-30 US disclosed
US-5981639-A ADDING A SODIUM ALKOXIDE TO THE TIN-COUPLED RUBBERY POLYMER SUBSEQUENT TO THE TIME AT WHICH THE TIN-COUPLED RUBBERY POLYMER IS COUPLED THE GOODYEAR TIRE & RUBBER COMPANY (US) 1999-11-09 US disclosed
US-5739182-A CHELATING TIN COUPLED RUBBERY POLYMER BY ADDING TERTIARY AMINE COMPOUND; STORAGE STABILITY THE GOODYEAR TIRE & RUBBER COMPANY (US) 1998-04-14 US disclosed