SCHEMBL650281

SCHEMBL650281

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

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 5/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.37
TLR7 Q9NYK1 3/20 0.37
LTB4R2 Q9NPC1 1/20 0.37
LPAR1 Q92633 1/20 0.36
LPAR5 Q9H1C0 1/20 0.36
C5AR1 P21730 1/20 0.36
AGTR2 P50052 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
SCHEMBL648072 0.96 AGTR1 (0.39) AGTR1KDM4EALDH1A1MAPTTSHR
SCHEMBL5137376 0.92 C5AR1 (0.42) AGTR1KDM4EALDH1A1MAPTTSHR
SCHEMBL648906 0.91 HDAC1 (0.39) AGTR1KDM4EALDH1A1MAPTTLR7
SCHEMBL651577 0.91 ADORA3 (0.39) AGTR1TSHRLTB4R2LPAR1LPAR5
SCHEMBL652332 0.90 AGTR1 (0.36) AGTR1LTB4R2LPAR1LPAR5AGTR2
SCHEMBL648302 0.90 AGTR1 (0.38) AGTR1TLR7LTB4R2LPAR1LPAR5
SCHEMBL1913113 0.90 C5AR1 (0.48) AGTR1ALDH1A1MAPTTSHRTLR7
SCHEMBL649495 0.89 TLR8 (0.36) AGTR1TLR7LPAR1LPAR5AGTR2
SCHEMBL652771 0.89 TLR8 (0.36) AGTR1TLR7LPAR1LPAR5AGTR2
SCHEMBL650986 0.88 AGTR1 (0.35) AGTR1TSHRLTB4R2

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