SCHEMBL649804

SCHEMBL649804

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

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.39
PTGS1 P23219 4/20 0.34
PTGS2 P35354 4/20 0.34
KMT2A Q03164 1/20 0.34
CA1 P00915 8/20 0.33
CA2 P00918 8/20 0.33
CA12 O43570 8/20 0.33
TSHR P16473 2/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CA4 P22748 3/20 0.32
RORC P51449 1/20 0.32
CA7 P43166 1/20 0.32
LDHA P00338 1/20 0.32
CA9 Q16790 1/20 0.31

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 0.93 C5AR1 (0.39) C5AR1CA1CA2CA12TSHR
SCHEMBL652031 0.92 CRHR1 (0.34) C5AR1PTGS1PTGS2KMT2ACA1
SCHEMBL649059 0.92 C5AR1 (0.42) C5AR1PTGS1PTGS2KMT2ACA1
SCHEMBL651074 0.91 C5AR1 (0.43) C5AR1KMT2ATSHRSMN1; SMN2
SCHEMBL1913005 0.89 C5AR1 (0.42) C5AR1TSHRLMNAHTTNPSR1
SCHEMBL1912981 0.89 DAGLA (0.40) C5AR1PTGS1PTGS2CA1CA2
SCHEMBL651212 0.89 C5AR1 (0.39) C5AR1CA1CA2CA12CA4
SCHEMBL5135869 0.88 C5AR1 (0.41) C5AR1TSHRSMN1; SMN2
SCHEMBL649537 0.88 C5AR1 (0.38) C5AR1PTGS1PTGS2KMT2ACA1
SCHEMBL649773 0.88 C5AR1 (0.42) C5AR1KMT2ACA1CA2CA12

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