SCHEMBL652234

SCHEMBL652234

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccccc1)Cc1ccc(C(=O)O)c(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.46
AGTR2 P50052 1/20 0.46
PPARG P37231 3/20 0.44
PPARA Q07869 2/20 0.44
C5AR1 P21730 1/20 0.43
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
CASR P41180 1/20 0.38
PTPN1 P18031 1/20 0.38
TSHR P16473 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
LPAR1 Q92633 1/20 0.37
PTGER4 P35408 1/20 0.37
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 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
SCHEMBL651343 0.89 C5AR1 (0.47) C5AR1MEN1KMT2AL3MBTL1TSHR
SCHEMBL652036 0.89 C5AR1 (0.45) AGTR1PPARGPPARAC5AR1TSHR
SCHEMBL652183 0.89 C5AR1 (0.45) C5AR1L3MBTL1TSHR
SCHEMBL647832 0.88 AGTR1 (0.41) AGTR1AGTR2PPARGPPARAC5AR1
SCHEMBL648900 0.87 C5AR1 (0.42) AGTR1AGTR2PPARGPPARAC5AR1
SCHEMBL1913014 0.87 C5AR1 (0.42) AGTR1AGTR2PPARGPPARAC5AR1
SCHEMBL651367 0.87 C5AR1 (0.45) C5AR1MEN1KMT2AL3MBTL1CASR
SCHEMBL651011 0.87 C5AR1 (0.47) C5AR1MEN1KMT2AL3MBTL1CASR
SCHEMBL5146342 0.85 C5AR1 (0.44) C5AR1MEN1KMT2AL3MBTL1LMNA
SCHEMBL648442 0.85 C5AR1 (0.45) PPARGPPARAC5AR1MEN1KMT2A

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