SCHEMBL653132

SCHEMBL653132

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccc(S(N)(=O)=O)cc1)Cc1cccc(OC(F)(F)C(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.40
CA12 O43570 8/20 0.37
CA1 P00915 8/20 0.37
CA2 P00918 8/20 0.37
CA4 P22748 7/20 0.37
CA9 Q16790 7/20 0.37
CETP P11597 7/20 0.36
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
CRHR1 P34998 1/20 0.33
PDPK1 O15530 1/20 0.33
TRPM8 Q7Z2W7 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
SCHEMBL651662 0.94 CRHR1 (0.37) C5AR1CA12CA1CA2CA4
SCHEMBL651212 0.92 C5AR1 (0.39) C5AR1CA12CA1CA2CA4
SCHEMBL650074 0.92 C5AR1 (0.43) C5AR1CETPCRHR1
SCHEMBL652216 0.89 C5AR1 (0.42) C5AR1CETPCRHR1
SCHEMBL651407 0.89 C5AR1 (0.42) C5AR1CETPCRHR1
SCHEMBL649414 0.89 CA2 (0.41) C5AR1CA12CA1CA2CA4
SCHEMBL648462 0.88 CA1 (0.42) C5AR1CA12CA1CA2CA4
SCHEMBL649987 0.87 C5AR1 (0.41) C5AR1CA12CA1CA2CA4
SCHEMBL648926 0.87 C5AR1 (0.41) C5AR1CETP
SCHEMBL648123 0.87 C5AR1 (0.42) C5AR1CETPCRHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1989009778-A1 OLIGONUCLEOTIDE CONTAINING 6-THIOGUANINE AT A PREDETERMINED SITE CHEMICAL INDUSTRY INSTITUTE OF TOXICOLOGY (US) 1989-10-19 WO claimed
WO-2022155418-A9 MODIFIED OLIGONUCLEOTIDES ALNYLAM PHARMACEUTICALS, INC. (US) 2023-03-09 WO disclosed
EP-2872680-A1 DNA-ENCODED LIBRARIES HAVING ENCODING OLIGONUCLEOTIDE LINKAGES NOT READABLE BY POLYMERASES X-Chem, Inc. (US) 2015-05-20 EP disclosed
EP-2748357-A1 METHODS FOR TAGGING DNA-ENCODED LIBRARIES X-Chem, Inc. (US) 2014-07-02 EP disclosed
WO-2014012010-A1 DNA-ENCODED LIBRARIES HAVING ENCODING OLIGONUCLEOTIDE LINKAGES NOT READABLE BY POLYMERASES X-CHEM, INC. (US) 2014-01-16 WO disclosed
WO-2013036810-A1 METHODS FOR TAGGING DNA-ENCODED LIBRARIES X-CHEM, INC. (US) 2013-03-14 WO disclosed
US-8119665-B2 Aryl imidazoles and related compounds as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-02-21 US disclosed
US-8119665-B2 Aryl imidazoles and related compounds as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-02-21 US disclosed
US-8119359-B2 Methods of indentifying sweet taste modulators SENOMYX, INC. (US) 2012-02-21 US disclosed
US-20110201046-A1 T1R HETERO-OLIGOMERIC TASTE RECEPTORS SENOMYX, INC. (US) 2011-08-18 US disclosed
WO-2010094036-A1 METHODS OF CREATING AND SCREENING DNA-ENCODED LIBRARIES X-CHEM, INC. (US) 2010-08-19 WO disclosed
US-7186734-B2 Aryl imidazoles and related compounds as C5a receptor modulators NEUROGEN CORPORATION (US) 2007-03-06 US disclosed
US-7186734-B2 Aryl imidazoles and related compounds as C5a receptor modulators NEUROGEN CORPORATION (US) 2007-03-06 US disclosed
US-7186734-B2 Aryl imidazoles and related compounds as C5a receptor modulators NEUROGEN CORPORATION (US) 2007-03-06 US disclosed
WO-1989009778-A1 OLIGONUCLEOTIDE CONTAINING 6-THIOGUANINE AT A PREDETERMINED SITE CHEMICAL INDUSTRY INSTITUTE OF TOXICOLOGY (US) 1989-10-19 WO disclosed