SCHEMBL8520734

SCHEMBL8520734

C=CCN1CCCCC1C=C

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRCP P42785 1/20 0.36
HTR1A P08908 7/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA7 P36544 1/20 0.31
CHRNA4 P43681 1/20 0.31
DRD2 P14416 4/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30
CHRM2 P08172 1/20 0.30
ACHE P22303 1/20 0.30
PTGS1 P23219 1/20 0.30
OPRM1 P35372 1/20 0.30
DRD3 P35462 1/20 0.30
OPRK1 P41145 1/20 0.30
KCNH2 Q12809 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
SCHEMBL29955921 0.88 PRCP (0.35) PRCPHTR1ADRD2DRD3
SCHEMBL11517818 0.81 CHRNB2 (0.37) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL11013331 0.81 CHRNB2 (0.30) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL28375065 0.81 DRD2 (0.33) PRCPHTR1ADRD2DRD3
SCHEMBL7346777 0.79 PRCP (0.32) PRCPHTR1ADRD2DRD3
SCHEMBL2844780 0.77 PRCP (0.36) PRCPHTR1ACHRNB2CHRNB4CHRNA3
SCHEMBL861621 0.77 PRCP (0.36) PRCPHTR1ADRD2ALDH1A1LMNA
SCHEMBL3264741 0.77 ALDH1A1 (0.42) ALDH1A1
SCHEMBL3801626 0.77 PRCP (0.36) PRCPHTR1ACHRNB2CHRNB4CHRNA3
SCHEMBL22252059 0.76 PRCP (0.31) PRCP

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
JP-11070301-A None JP disclosed
JP-H1170301-A TREATMENT AGENT FOR WATER CONTAINING WASTE COATING MATERIAL IPPOSHA OIL IND CO LTD 1999-03-16 JP disclosed