SCHEMBL3664070

SCHEMBL3664070

CCCCCCCCCCCCCCCCCCCCCCc1[nH]cc[n+]1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.40
GPR84 Q9NQS5 1/20 0.40
ADRA2A P08913 3/20 0.35
ADORA3 P0DMS8 3/20 0.35
SLC6A2 P23975 3/20 0.35
SLC6A4 P31645 3/20 0.35
SLC6A3 Q01959 3/20 0.35
CHRM2 P08172 2/20 0.35
CHRM1 P11229 2/20 0.35
ACHE P22303 2/20 0.35
ESR1 P03372 2/20 0.35
ABCB11 O95342 1/20 0.35
PGR P06401 1/20 0.35
HTR1A P08908 1/20 0.35
DRD1 P21728 1/20 0.35
TBXA2R P21731 1/20 0.35
PTGS1 P23219 1/20 0.35
PDE4A P27815 1/20 0.35
ADRA1A P35348 1/20 0.35
OPRM1 P35372 1/20 0.35

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
SCHEMBL627668 1.00 KCNH2 (0.40) KCNH2GPR84ADRA2AADORA3SLC6A2
SCHEMBL2403678 1.00 KCNH2 (0.40) KCNH2GPR84ADRA2AADORA3SLC6A2
SCHEMBL233861 1.00 KCNH2 (0.40) KCNH2GPR84ADRA2AADORA3SLC6A2
SCHEMBL1299806 1.00 KCNH2 (0.40) KCNH2GPR84ADRA2AADORA3SLC6A2
SCHEMBL4347828 1.00 KCNH2 (0.40) KCNH2GPR84ADRA2AADORA3SLC6A2
SCHEMBL3885723 1.00 KCNH2 (0.40) KCNH2GPR84ADRA2AADORA3SLC6A2
SCHEMBL2351436 1.00 KCNH2 (0.40) KCNH2GPR84ADRA2AADORA3SLC6A2
SCHEMBL1818170 1.00 KCNH2 (0.40) KCNH2GPR84ADRA2AADORA3SLC6A2
SCHEMBL2229126 1.00 KCNH2 (0.40) KCNH2GPR84ADRA2AADORA3SLC6A2
SCHEMBL5300868 1.00 KCNH2 (0.40) KCNH2GPR84ADRA2AADORA3SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015187412-A1 HIGHLY POROUS FIBROUS NETWORK MATERIALS FOR GAS FILTRATION THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2015-12-10 WO claimed
EP-2231770-A1 POLYOLEFIN NANOCOMPOSITES WITH FUNCTIONAL IONIC LIQUIDS AND CARBON NANOFILLERS The Research Foundation of State University of New York (US) 2010-09-29 EP claimed
WO-2009108236-A1 POLYOLEFIN NANOCOMPOSITES WITH FUNCTIONAL IONIC LIQUIDS AND CARBON NANOFILLERS THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2009-09-03 WO claimed