SCHEMBL648513

SCHEMBL648513

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

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.40
LPAR1 Q92633 2/20 0.39
LPAR5 Q9H1C0 2/20 0.39
KMT2A Q03164 2/20 0.37
LTB4R2 Q9NPC1 3/20 0.36
LTA4H P09960 1/20 0.36
AGTR1 P30556 3/20 0.35
AGTR2 P50052 3/20 0.35
C5AR1 P21730 1/20 0.35
MEN1 O00255 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
ADORA2B P29275 1/20 0.34
ADORA1 P30542 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
SCHEMBL650060 0.96 LTB4R2 (0.38) HDAC1LPAR1LPAR5KMT2ALTB4R2
SCHEMBL648502 0.92 LTA4H (0.42) HDAC1LTB4R2LTA4HAGTR1AGTR2
SCHEMBL648906 0.92 HDAC1 (0.39) HDAC1LPAR1LPAR5KMT2AAGTR1
SCHEMBL651577 0.91 ADORA3 (0.39) LPAR1LPAR5LTB4R2AGTR1AGTR2
SCHEMBL648095 0.90 LPAR1 (0.40) LPAR1LPAR5KMT2ALTA4HAGTR1
SCHEMBL651282 0.89 LTB4R2 (0.39) LTB4R2AGTR1AGTR2ADORA3ADORA2B
SCHEMBL648516 0.88 LTB4R2 (0.40) LTB4R2LTA4HAGTR1AGTR2ADORA3
SCHEMBL651423 0.88 AGTR1 (0.42) LTB4R2LTA4HAGTR1AGTR2ADORA3
SCHEMBL648639 0.88 AGTR1 (0.40) LTB4R2LTA4HAGTR1AGTR2ADORA3
SCHEMBL651303 0.88 MC4R (0.37) HDAC1LPAR1LPAR5KMT2ALTB4R2

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