SCHEMBL651214

SCHEMBL651214

CCCCn1c(-c2ccccc2)nc(Cl)c1CN(Cc1cccc(C(=O)O)c1)Cc1ccc2c(c1)OCCO2

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.50
MEP1B Q16820 2/20 0.44
PTGDR2 Q9Y5Y4 4/20 0.41
LTA4H P09960 1/20 0.41
CYP2C8 P10632 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
PTGES O14684 1/20 0.40
ALOX5 P09917 1/20 0.40
NPC1 O15118 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 2/20 0.37
TSHR P16473 2/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
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
SCHEMBL1913082 0.94 C5AR1 (0.49) C5AR1MEP1BPTGDR2LTA4HCYP2C8
SCHEMBL651163 0.94 C5AR1 (0.49) C5AR1MEP1BPTGDR2CYP2C8CYP2C9
SCHEMBL648636 0.94 C5AR1 (0.51) C5AR1PTGDR2LTA4HCYP2C8CYP2C9
SCHEMBL649762 0.92 C5AR1 (0.47) C5AR1MEP1BPTGDR2CYP2C8CYP2C9
SCHEMBL652376 0.91 C5AR1 (0.58) C5AR1PTGDR2CYP2C8CYP2C9CYP2C19
SCHEMBL651112 0.91 C5AR1 (0.49) C5AR1MEP1BPTGDR2CYP2C8CYP2C9
SCHEMBL648949 0.91 PTGDR2 (0.51) C5AR1PTGDR2CYP2C8CYP2C9CYP2C19
SCHEMBL649602 0.90 C5AR1 (0.51) C5AR1PTGDR2CYP2C8CYP2C9CYP2C19
SCHEMBL1913084 0.90 C5AR1 (0.51) C5AR1PTGDR2CYP2C8CYP2C9CYP2C19
SCHEMBL652155 0.90 C5AR1 (0.48) C5AR1MEP1BPTGDR2CYP2C8CYP2C9

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