SCHEMBL649773

SCHEMBL649773

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

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.42
CA12 O43570 10/20 0.37
CA1 P00915 10/20 0.37
CA2 P00918 10/20 0.37
CA4 P22748 3/20 0.36
LDHA P00338 1/20 0.35
TSHR P16473 3/20 0.35
USP2 O75604 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 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 0.34
PKM P14618 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL650800 0.92 C5AR1 (0.45) C5AR1CA12CA1CA2CA4
SCHEMBL651024 0.92 C5AR1 (0.47) C5AR1TSHRHTTALDH1A1HSD17B10
SCHEMBL1915566 0.90 C5AR1 (0.45) C5AR1TSHRMEN1KMT2AHTT
SCHEMBL5136767 0.90 C5AR1 (0.41) C5AR1CA12CA1CA2CA4
SCHEMBL649059 0.90 C5AR1 (0.42) C5AR1CA1CA2CA4KMT2A
SCHEMBL649150 0.88 C5AR1 (0.41) C5AR1CA12CA1CA2CA4
SCHEMBL649804 0.88 C5AR1 (0.39) C5AR1CA12CA1CA2CA4
SCHEMBL650018 0.87 C5AR1 (0.46) C5AR1TSHRHTTALDH1A1HSD17B10
SCHEMBL650719 0.87 C5AR1 (0.43) C5AR1TSHRLMNAHTTSMN1; SMN2
SCHEMBL5134923 0.86 CA12 (0.41) C5AR1CA12CA1CA2CA4

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