SCHEMBL650060

SCHEMBL650060

CCCCn1c(-c2ccccc2C)nc(-c2ccc(C)cc2)c1CN(CCC(C)C)Cc1ccc(C(=O)O)cc1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 5/20 0.38
LPAR1 Q92633 1/20 0.38
LPAR5 Q9H1C0 1/20 0.38
AGTR1 P30556 3/20 0.37
AGTR2 P50052 3/20 0.37
HDAC1 Q13547 1/20 0.37
KMT2A Q03164 1/20 0.36
ADORA3 P0DMS8 1/20 0.35
ADORA2B P29275 1/20 0.35
ADORA1 P30542 1/20 0.35
LTA4H P09960 1/20 0.34

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
SCHEMBL648513 0.96 HDAC1 (0.40) LTB4R2LPAR1LPAR5AGTR1AGTR2
SCHEMBL651282 0.94 LTB4R2 (0.39) LTB4R2AGTR1AGTR2ADORA3ADORA2B
SCHEMBL651423 0.93 AGTR1 (0.42) LTB4R2AGTR1AGTR2ADORA3ADORA2B
SCHEMBL648516 0.93 LTB4R2 (0.40) LTB4R2AGTR1AGTR2ADORA3ADORA2B
SCHEMBL648639 0.92 AGTR1 (0.40) LTB4R2AGTR1AGTR2ADORA3ADORA2B
SCHEMBL651303 0.92 MC4R (0.37) LTB4R2LPAR1LPAR5AGTR1AGTR2
SCHEMBL653603 0.91 AGTR1 (0.40) LTB4R2AGTR1AGTR2KMT2ALTA4H
SCHEMBL652625 0.91 LTB4R2 (0.41) LTB4R2AGTR1AGTR2ADORA3ADORA2B
SCHEMBL651348 0.91 LTB4R2 (0.39) LTB4R2AGTR1AGTR2KMT2AADORA3
SCHEMBL648589 0.89 LTB4R2 (0.38) LTB4R2AGTR1AGTR2HDAC1ADORA3

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