SCHEMBL651303

SCHEMBL651303

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

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.37
HDAC1 Q13547 1/20 0.35
KMT2A Q03164 1/20 0.35
AGTR1 P30556 3/20 0.34
CMKLR1 Q99788 1/20 0.34
LPAR1 Q92633 1/20 0.34
LPAR5 Q9H1C0 1/20 0.34
AGTR2 P50052 1/20 0.33
DRD2 P14416 1/20 0.33
TBXA2R P21731 1/20 0.33
LTB4R2 Q9NPC1 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
SCHEMBL648906 0.95 HDAC1 (0.39) MC4RHDAC1KMT2AAGTR1LPAR1
SCHEMBL650986 0.94 AGTR1 (0.35) MC4RAGTR1CMKLR1DRD2TBXA2R
SCHEMBL648302 0.93 AGTR1 (0.38) AGTR1CMKLR1LPAR1LPAR5AGTR2
SCHEMBL652332 0.93 AGTR1 (0.36) AGTR1CMKLR1LPAR1LPAR5AGTR2
SCHEMBL649495 0.92 TLR8 (0.36) AGTR1CMKLR1LPAR1LPAR5AGTR2
SCHEMBL650060 0.92 LTB4R2 (0.38) HDAC1KMT2AAGTR1LPAR1LPAR5
SCHEMBL652771 0.92 TLR8 (0.36) AGTR1CMKLR1LPAR1LPAR5AGTR2
SCHEMBL648274 0.91 AGTR1 (0.35) AGTR1CMKLR1LPAR1LPAR5DRD2
SCHEMBL648072 0.91 AGTR1 (0.39) AGTR1DRD2TBXA2RLTB4R2
SCHEMBL650292 0.90 HDAC1 (0.35) HDAC1AGTR1CMKLR1LPAR1LPAR5

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