SCHEMBL650095

SCHEMBL650095

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.39
USP2 O75604 2/20 0.34
TSHR P16473 2/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
BACE1 P56817 3/20 0.33
CTSD P07339 1/20 0.33
BACE2 Q9Y5Z0 1/20 0.33
CA1 P00915 8/20 0.33
CA2 P00918 8/20 0.33
CA12 O43570 7/20 0.33
CA4 P22748 3/20 0.33
ALDH1A1 P00352 2/20 0.33
HSD17B10 Q99714 2/20 0.33
PKM P14618 1/20 0.33
TAS2R14 Q9NYV8 1/20 0.32
RORC P51449 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL649804 0.93 C5AR1 (0.39) C5AR1USP2TSHRLMNAHTT
SCHEMBL649537 0.92 C5AR1 (0.38) C5AR1USP2TSHRLMNAHTT
SCHEMBL648891 0.91 C5AR1 (0.44) C5AR1TSHRBACE1CTSDBACE2
SCHEMBL1912981 0.90 DAGLA (0.40) C5AR1TSHRCA1CA2CA12
SCHEMBL651212 0.89 C5AR1 (0.39) C5AR1CA1CA2CA12CA4
SCHEMBL648409 0.89 C5AR1 (0.42) C5AR1TSHRLMNAHTTBACE1
SCHEMBL1915545 0.88 C5AR1 (0.42) C5AR1TSHRBACE1CTSDBACE2
SCHEMBL5134747 0.88 C5AR1 (0.42) C5AR1TSHRBACE1CTSDBACE2
SCHEMBL649513 0.87 C5AR1 (0.43) C5AR1TSHRBACE1CTSDBACE2
SCHEMBL650800 0.86 C5AR1 (0.45) C5AR1USP2TSHRLMNAHTT

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