SCHEMBL648274

SCHEMBL648274

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

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.35
IDO1 P14902 1/20 0.35
DRD2 P14416 1/20 0.34
TBXA2R P21731 1/20 0.34
TLR8 Q9NR97 1/20 0.34
LTB4R2 Q9NPC1 2/20 0.34
CMKLR1 Q99788 1/20 0.34
LPAR1 Q92633 1/20 0.33
LPAR5 Q9H1C0 1/20 0.33

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
SCHEMBL650986 0.94 AGTR1 (0.35) AGTR1DRD2TBXA2RTLR8LTB4R2
SCHEMBL648072 0.92 AGTR1 (0.39) AGTR1DRD2TBXA2RLTB4R2
SCHEMBL652332 0.91 AGTR1 (0.36) AGTR1DRD2TBXA2RTLR8LTB4R2
SCHEMBL651348 0.91 LTB4R2 (0.39) AGTR1LTB4R2
SCHEMBL648302 0.91 AGTR1 (0.38) AGTR1DRD2TBXA2RLTB4R2CMKLR1
SCHEMBL651303 0.91 MC4R (0.37) AGTR1DRD2TBXA2RLTB4R2CMKLR1
SCHEMBL649495 0.91 TLR8 (0.36) AGTR1DRD2TBXA2RTLR8CMKLR1
SCHEMBL652771 0.90 TLR8 (0.36) AGTR1DRD2TBXA2RTLR8CMKLR1
SCHEMBL651300 0.89 AGTR1 (0.35) AGTR1DRD2TBXA2RTLR8LTB4R2
SCHEMBL650281 0.88 AGTR1 (0.40) AGTR1LTB4R2LPAR1LPAR5

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