SCHEMBL649884

SCHEMBL649884

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

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 16/20 0.41
CA2 P00918 16/20 0.41
CA9 Q16790 15/20 0.41
CA12 O43570 15/20 0.41
CA4 P22748 14/20 0.41
CRHR1 P34998 2/20 0.37
CA7 P43166 1/20 0.37
CA14 Q9ULX7 1/20 0.37
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
MAPT P10636 1/20 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
SCHEMBL651801 0.91 CRHR1 (0.42) CRHR1MAPT
SCHEMBL648462 0.91 CA1 (0.42) CA1CA2CA9CA12CA4
SCHEMBL651116 0.91 CRHR1 (0.41) CA1CA2CA12CA4CRHR1
SCHEMBL650406 0.91 CRHR1 (0.41) CRHR1MAPT
SCHEMBL651662 0.91 CRHR1 (0.37) CA1CA2CA9CA12CA4
SCHEMBL649253 0.88 SQLE (0.38) CRHR1MAPT
SCHEMBL1913045 0.88 SMN1; SMN2 (0.41) CRHR1MAPT
SCHEMBL647849 0.86 CRHR1 (0.38) CRHR1MAPT
SCHEMBL648054 0.86 NR1H2 (0.39) CRHR1
SCHEMBL651162 0.86 CRHR1 (0.46) CA1CA2CA12CA4CRHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1490044-A4 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORP (US) 2008-04-16 EP 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
EP-1490044-A1 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORPORATION (US) 2004-12-29 EP disclosed
WO-2003084524-A1 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORPORATION (US) 2003-10-16 WO disclosed