SCHEMBL651577

SCHEMBL651577

CCCCn1c(-c2ccccc2C)nc(-c2ccccc2)c1CN(Cc1ccccc1)Cc1ccc(C(=O)O)cc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.39
ADORA2B P29275 1/20 0.39
ADORA1 P30542 1/20 0.39
TSHR P16473 1/20 0.39
LTB4R2 Q9NPC1 4/20 0.39
C5AR1 P21730 1/20 0.38
AGTR1 P30556 2/20 0.37
AGTR2 P50052 2/20 0.37
PIN1 Q13526 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
LPAR1 Q92633 1/20 0.36
LPAR5 Q9H1C0 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
SCHEMBL652625 0.95 LTB4R2 (0.41) ADORA3ADORA2BADORA1TSHRLTB4R2
SCHEMBL648502 0.95 LTA4H (0.42) ADORA3ADORA2BADORA1LTB4R2C5AR1
SCHEMBL5137880 0.91 C5AR1 (0.45) ADORA3ADORA2BADORA1TSHRLTB4R2
SCHEMBL650281 0.91 AGTR1 (0.40) TSHRLTB4R2C5AR1AGTR1AGTR2
SCHEMBL648513 0.91 HDAC1 (0.40) ADORA3ADORA2BADORA1LTB4R2C5AR1
SCHEMBL648516 0.90 LTB4R2 (0.40) ADORA3ADORA2BADORA1LTB4R2AGTR1
SCHEMBL651423 0.90 AGTR1 (0.42) ADORA3ADORA2BADORA1LTB4R2AGTR1
SCHEMBL648639 0.90 AGTR1 (0.40) ADORA3ADORA2BADORA1LTB4R2AGTR1
SCHEMBL653603 0.89 AGTR1 (0.40) LTB4R2AGTR1AGTR2
SCHEMBL650523 0.89 C5AR1 (0.50) TSHRC5AR1NR1H4

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 9 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
EP-1490044-A4 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORP (US) 2008-04-16 EP 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
EP-1490044-A1 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORPORATION (US) 2004-12-29 EP disclosed
WO-2003084524-A1 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORPORATION (US) 2003-10-16 WO disclosed