SCHEMBL649971

SCHEMBL649971

CCCCn1c(-c2ccccc2)nc(C(F)(F)F)c1CN(Cc1ccc(SC)cc1)Cc1ccc(S(N)(=O)=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.38
CA1 P00915 6/20 0.38
CA2 P00918 6/20 0.38
CA9 Q16790 2/20 0.38
PTGS2 P35354 6/20 0.38
PTGS1 P23219 4/20 0.38
CRHR1 P34998 2/20 0.36
PDPK1 O15530 2/20 0.35
C5AR1 P21730 1/20 0.35
LMNA P02545 2/20 0.35
TSHR P16473 2/20 0.35
USP2 O75604 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CA4 P22748 1/20 0.35

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
SCHEMBL651116 0.93 CRHR1 (0.41) CA12CA1CA2PTGS2PTGS1
SCHEMBL651162 0.90 CRHR1 (0.46) CA12CA1CA2PTGS2PTGS1
SCHEMBL648376 0.88 CA2 (0.38) CA12CA1CA2CA9PTGS2
SCHEMBL1913035 0.87 CRHR1 (0.39) CA12CA1CA2PTGS2PTGS1
SCHEMBL652723 0.86 DAGLA (0.39) CA12CA1CA2CA9PTGS2
SCHEMBL649884 0.84 CA1 (0.41) CA12CA1CA2CA9PTGS2
SCHEMBL1913036 0.84 C5AR1 (0.55) CA12CA1CA2CA9PTGS2
SCHEMBL647850 0.84 C5AR1 (0.42) CA12CA1CA2PTGS2PTGS1
SCHEMBL649597 0.84 CRHR1 (0.36) CRHR1C5AR1LMNATSHRHTT
SCHEMBL649553 0.83 CRHR1 (0.37) CA12CA1CA2PTGS2PTGS1

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