SCHEMBL649537

SCHEMBL649537

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccc(S(N)(=O)=O)cc1)Cc1cc(C)c(OC(F)F)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.38
TSHR P16473 4/20 0.35
LMNA P02545 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
USP2 O75604 2/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CA12 O43570 7/20 0.33
CA1 P00915 6/20 0.33
CA2 P00918 6/20 0.33
ALDH1A1 P00352 2/20 0.33
PKM P14618 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CA4 P22748 2/20 0.33
RORC P51449 1/20 0.33
LDHA P00338 1/20 0.32
CA9 Q16790 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL650095 0.92 C5AR1 (0.39) C5AR1TSHRLMNASMN1; SMN2USP2
SCHEMBL652063 0.91 C5AR1 (0.40) C5AR1TSHRLMNASMN1; SMN2USP2
SCHEMBL1912981 0.91 DAGLA (0.40) C5AR1TSHRCA12CA1CA2
SCHEMBL650339 0.90 C5AR1 (0.41) C5AR1TSHRALDH1A1HSD17B10MEN1
SCHEMBL651014 0.89 C5AR1 (0.41) C5AR1TSHRLMNAHTTNPSR1
SCHEMBL651212 0.89 C5AR1 (0.39) C5AR1CA12CA1CA2CA4
SCHEMBL1915451 0.88 C5AR1 (0.41) C5AR1TSHRSMN1; SMN2ALDH1A1HSD17B10
SCHEMBL649804 0.88 C5AR1 (0.39) C5AR1TSHRLMNASMN1; SMN2USP2
SCHEMBL649150 0.87 C5AR1 (0.41) C5AR1TSHRLMNASMN1; SMN2USP2
SCHEMBL649952 0.86 C5AR1 (0.41) C5AR1TSHRALDH1A1HSD17B10

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 9 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
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