SCHEMBL647850

SCHEMBL647850

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

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.42
CRHR1 P34998 5/20 0.36
PTGS1 P23219 2/20 0.35
PTGS2 P35354 2/20 0.35
PDPK1 O15530 2/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CYP19A1 P11511 1/20 0.33
CA12 O43570 5/20 0.33
CA1 P00915 5/20 0.33
CA2 P00918 5/20 0.33
LDHA P00338 1/20 0.32
CA4 P22748 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
SCHEMBL649410 0.92 C5AR1 (0.47) C5AR1PTGS1PTGS2USP2LMNA
SCHEMBL1913036 0.90 C5AR1 (0.55) C5AR1CRHR1PTGS1PTGS2LMNA
SCHEMBL651116 0.89 CRHR1 (0.41) C5AR1CRHR1PTGS1PTGS2PDPK1
SCHEMBL651162 0.86 CRHR1 (0.46) C5AR1CRHR1PTGS1PTGS2PDPK1
SCHEMBL652069 0.85 C5AR1 (0.42) C5AR1CRHR1TSHRHTT
SCHEMBL1913035 0.85 CRHR1 (0.39) C5AR1CRHR1PTGS1PTGS2PDPK1
SCHEMBL649971 0.84 CA12 (0.38) C5AR1CRHR1PTGS1PTGS2PDPK1
SCHEMBL648376 0.84 CA2 (0.38) CRHR1PTGS1PTGS2CA12CA1
SCHEMBL649884 0.84 CA1 (0.41) CRHR1PTGS1PTGS2CA12CA1
SCHEMBL647995 0.83 C5AR1 (0.56) C5AR1CRHR1PTGS1PTGS2LMNA

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 5 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-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