SCHEMBL648947

SCHEMBL648947

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.41
PTGES O14684 2/20 0.41
ALOX5 P09917 2/20 0.41
TAS2R14 Q9NYV8 1/20 0.40
LTA4H P09960 2/20 0.39
ALDH1A1 P00352 5/20 0.38
TSHR P16473 4/20 0.38
HPGD P15428 2/20 0.38
GAA P10253 1/20 0.38
PTGDR2 Q9Y5Y4 4/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
MAPK1 P28482 1/20 0.37
MAPT P10636 1/20 0.37
LMNA P02545 1/20 0.36
PTGER3 P43115 1/20 0.36
KDM4E B2RXH2 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
SCHEMBL14572910 0.94 C5AR1 (0.41) C5AR1PTGESALOX5TAS2R14LTA4H
SCHEMBL653426 0.92 C5AR1 (0.38) C5AR1ALDH1A1TSHRHPGDGAA
SCHEMBL1913100 0.92 C5AR1 (0.42) C5AR1PTGESALOX5TAS2R14LTA4H
SCHEMBL650523 0.90 C5AR1 (0.50) C5AR1PTGESALOX5TAS2R14LTA4H
SCHEMBL651692 0.89 C5AR1 (0.40) C5AR1PTGESALOX5TAS2R14LTA4H
SCHEMBL651302 0.88 C5AR1 (0.46) C5AR1PTGESALOX5TAS2R14LTA4H
SCHEMBL652511 0.84 C5AR1 (0.39) C5AR1ALDH1A1PTGDR2MEN1KMT2A
SCHEMBL651099 0.83 C5AR1 (0.58) C5AR1PTGESALOX5ALDH1A1TSHR
SCHEMBL652538 0.83 C5AR1 (0.39) C5AR1ALDH1A1TSHRHPGDGAA
SCHEMBL1913102 0.83 C5AR1 (0.52) C5AR1PTGESALOX5TAS2R14LTA4H

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 4 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