SCHEMBL3521371

SCHEMBL3521371

CCCCCCCCCCCCCCCCCC(c1ccccc1)N(c1ccccc1)c1ccccc1.[B]

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.42
HTR2A P28223 2/20 0.41
KCNH2 Q12809 3/20 0.40
CSNK1E P49674 1/20 0.40
OPRM1 P35372 2/20 0.39
OPRD1 P41143 2/20 0.39
OPRK1 P41145 2/20 0.39
OPRL1 P41146 2/20 0.39
NAAA Q02083 2/20 0.39
NPC1 O15118 1/20 0.39
JAK2 O60674 1/20 0.39
RAB9A P51151 1/20 0.39
PAX8 Q06710 1/20 0.39
ASAH1 Q13510 1/20 0.37
HRH1 P35367 1/20 0.37
CYP19A1 P11511 3/20 0.36

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
SCHEMBL9147006 0.82 CHRNB2 (0.47) SIGMAR1HTR2AKCNH2CSNK1EOPRM1
SCHEMBL28804993 0.82 CHRNB2 (0.47) SIGMAR1HTR2AKCNH2CSNK1EOPRM1
SCHEMBL4203421 0.82 CHRNB2 (0.47) SIGMAR1HTR2AKCNH2CSNK1EOPRM1
SCHEMBL176479 0.82 CHRNB2 (0.47) SIGMAR1HTR2AKCNH2CSNK1EOPRM1
SCHEMBL2236659 0.82 CHRNB2 (0.47) SIGMAR1HTR2AKCNH2CSNK1EOPRM1
SCHEMBL28804980 0.82 CHRNB2 (0.47) SIGMAR1HTR2AKCNH2CSNK1EOPRM1
SCHEMBL10614871 0.82 CHRNB2 (0.47) SIGMAR1HTR2AKCNH2CSNK1EOPRM1
SCHEMBL1006488 0.82 CHRNB2 (0.47) SIGMAR1HTR2AKCNH2CSNK1EOPRM1
SCHEMBL1941824 0.82 CHRNB2 (0.47) SIGMAR1HTR2AKCNH2CSNK1EOPRM1
SCHEMBL176505 0.82 CHRNB2 (0.47) SIGMAR1HTR2AKCNH2CSNK1EOPRM1

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
EP-2161318-A1 TRIPHENYLBORON COMPOUND-CONTAINING ANTIFOULING COATING COMPOSITION HAVING IMPROVED STABILITY, ANTIFOULING AGENT SET USED THEREFOR, AND METHOD FOR SUPPRESSING/CONTROLLING DECOMPOSITION OF TRIPHENYLBORON COMPOUND CHUGOKU MARINE PAINTS, LTD. (JP) 2010-03-10 EP disclosed