SCHEMBL652771

SCHEMBL652771

CCCCCCN(Cc1ccc(C(=O)OC)cc1)Cc1c(-c2ccc(C)cc2)nc(-c2ccccc2C)n1CCCC

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.36
AGTR1 P30556 3/20 0.36
AGTR2 P50052 2/20 0.36
CMKLR1 Q99788 1/20 0.35
LPAR1 Q92633 1/20 0.35
LPAR5 Q9H1C0 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
DRD2 P14416 1/20 0.35
TBXA2R P21731 1/20 0.35
PPARG P37231 1/20 0.34
PPARA Q07869 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
SCHEMBL649495 0.99 TLR8 (0.36) TLR8AGTR1AGTR2CMKLR1LPAR1
SCHEMBL648302 0.97 AGTR1 (0.38) AGTR1AGTR2CMKLR1LPAR1LPAR5
SCHEMBL652332 0.95 AGTR1 (0.36) TLR8AGTR1AGTR2CMKLR1LPAR1
SCHEMBL648072 0.93 AGTR1 (0.39) AGTR1TLR7DRD2TBXA2R
SCHEMBL650292 0.92 HDAC1 (0.35) TLR8AGTR1AGTR2CMKLR1LPAR1
SCHEMBL651303 0.92 MC4R (0.37) AGTR1AGTR2CMKLR1LPAR1LPAR5
SCHEMBL653603 0.91 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL648639 0.90 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL650986 0.90 AGTR1 (0.35) TLR8AGTR1CMKLR1DRD2TBXA2R
SCHEMBL651300 0.90 AGTR1 (0.35) TLR8AGTR1CMKLR1LPAR1LPAR5

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