SCHEMBL651692

SCHEMBL651692

CCCCn1c(-c2ccccc2C)nc(C#N)c1CN(Cc1ccc(C(=O)O)cc1)Cc1ccc2c(c1)OCCO2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.40
LTA4H P09960 2/20 0.38
PTGES O14684 1/20 0.38
ALOX5 P09917 1/20 0.38
ALDH1A1 P00352 7/20 0.37
TSHR P16473 7/20 0.37
MAPT P10636 3/20 0.37
KDM4E B2RXH2 2/20 0.37
USP2 O75604 2/20 0.37
ALOX15 P16050 1/20 0.37
CASP1 P29466 1/20 0.37
HTT P42858 1/20 0.37
CASP7 P55210 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TAS2R14 Q9NYV8 1/20 0.37
HPGD P15428 2/20 0.36
GAA P10253 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL649995 0.92 C5AR1 (0.37) C5AR1ALDH1A1TSHRMAPTKDM4E
SCHEMBL650230 0.92 C5AR1 (0.49) C5AR1LTA4HPTGESALOX5ALDH1A1
SCHEMBL1913100 0.89 C5AR1 (0.42) C5AR1LTA4HPTGESALOX5ALDH1A1
SCHEMBL648947 0.89 C5AR1 (0.41) C5AR1LTA4HPTGESALOX5ALDH1A1
SCHEMBL650523 0.88 C5AR1 (0.50) C5AR1LTA4HPTGESALOX5ALDH1A1
SCHEMBL651302 0.86 C5AR1 (0.46) C5AR1LTA4HPTGESALOX5ALDH1A1
SCHEMBL650376 0.85 C5AR1 (0.38) C5AR1ALDH1A1TSHRMAPTKDM4E
SCHEMBL648085 0.85 C5AR1 (0.46) C5AR1PTGESALOX5ALDH1A1TSHR
SCHEMBL650512 0.84 C5AR1 (0.55) C5AR1ALDH1A1TSHRHPGDMAPK1
SCHEMBL14572910 0.83 C5AR1 (0.41) C5AR1LTA4HPTGESALOX5ALDH1A1

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