SCHEMBL651251

SCHEMBL651251

CCCCn1c(-c2ccccc2)nc(-c2cccc(OC)c2)c1CN(Cc1ccc(C(=O)O)cc1)Cc1ccc2c(c1)OCCO2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.49
PTGES O14684 2/20 0.40
ALOX5 P09917 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CTNNB1 P35222 1/20 0.39
WNT3A P56704 1/20 0.39
TAS2R14 Q9NYV8 2/20 0.38
CYP2C8 P10632 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
ALDH1A1 P00352 5/20 0.38
MAPK1 P28482 3/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
OPRM1 P35372 1/20 0.37

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
SCHEMBL648162 0.94 C5AR1 (0.48) C5AR1MEN1KMT2ACTNNB1WNT3A
SCHEMBL650896 0.94 C5AR1 (0.52) C5AR1PTGESALOX5MEN1KMT2A
SCHEMBL650916 0.92 C5AR1 (0.58) C5AR1PTGESALOX5MEN1KMT2A
SCHEMBL650741 0.91 C5AR1 (0.52) C5AR1PTGESALOX5MEN1KMT2A
SCHEMBL650669 0.90 C5AR1 (0.51) C5AR1PTGESALOX5CTNNB1WNT3A
SCHEMBL5135513 0.89 C5AR1 (0.58) C5AR1PTGESALOX5TAS2R14ALDH1A1
SCHEMBL650570 0.89 C5AR1 (0.55) C5AR1PTGESALOX5MEN1KMT2A
SCHEMBL650168 0.89 C5AR1 (0.62) C5AR1ALDH1A1MAPK1MAPTHPGD
SCHEMBL5135332 0.88 C5AR1 (0.59) C5AR1MEN1KMT2AALDH1A1MAPK1
SCHEMBL652444 0.88 C5AR1 (0.51) C5AR1PTGESALOX5MEN1KMT2A

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