SCHEMBL649410

SCHEMBL649410

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccc(S(N)(=O)=O)cc1)Cc1ccc2c(c1)OC(F)(F)O2

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.47
LDHA P00338 2/20 0.36
TSHR P16473 3/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
USP2 O75604 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CYP19A1 P11511 1/20 0.34
PTGS1 P23219 3/20 0.34
PTGS2 P35354 3/20 0.34
CA12 O43570 7/20 0.34
CA1 P00915 7/20 0.34
CA2 P00918 7/20 0.34
CA4 P22748 2/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPT P10636 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
SCHEMBL647850 0.92 C5AR1 (0.42) C5AR1LDHATSHRLMNASMN1; SMN2
SCHEMBL649922 0.91 C5AR1 (0.54) C5AR1TSHRLMNASMN1; SMN2
SCHEMBL5135876 0.88 C5AR1 (0.63) C5AR1TSHRLMNASMN1; SMN2NPSR1
SCHEMBL5135840 0.88 C5AR1 (0.51) C5AR1TSHRLMNASMN1; SMN2
SCHEMBL5134619 0.88 C5AR1 (0.54) C5AR1TSHRMAPT
SCHEMBL5135062 0.87 C5AR1 (0.53) C5AR1TSHR
SCHEMBL649848 0.87 C5AR1 (0.53) C5AR1TSHR
SCHEMBL650008 0.86 C5AR1 (0.49) C5AR1TSHRLMNASMN1; SMN2HTT
SCHEMBL649773 0.85 C5AR1 (0.42) C5AR1LDHATSHRLMNASMN1; SMN2
SCHEMBL649522 0.85 C5AR1 (0.48) C5AR1LDHATSHRLMNASMN1; SMN2

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 6 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
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