SCHEMBL648162

SCHEMBL648162

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.48
ALDH1A1 P00352 4/20 0.38
MAPT P10636 3/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
LMNA P02545 1/20 0.38
AVPR1B P47901 1/20 0.38
CTNNB1 P35222 1/20 0.38
WNT3A P56704 1/20 0.38
DGAT2 Q96PD7 2/20 0.37
TP53 P04637 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 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
SCHEMBL651251 0.94 C5AR1 (0.49) C5AR1ALDH1A1MAPTHPGDHSD17B10
SCHEMBL652444 0.94 C5AR1 (0.51) C5AR1ALDH1A1MAPTHPGDHSD17B10
SCHEMBL648086 0.94 C5AR1 (0.55) C5AR1ALDH1A1MAPTHPGDMEN1
SCHEMBL650615 0.93 C5AR1 (0.49) C5AR1ALDH1A1MAPTHPGDKDM4E
SCHEMBL648481 0.92 C5AR1 (0.48) C5AR1ALDH1A1MAPTHPGDLMNA
SCHEMBL651054 0.91 C5AR1 (0.52) C5AR1ALDH1A1MAPTHPGDHSD17B10
SCHEMBL649699 0.90 C5AR1 (0.51) C5AR1ALDH1A1MAPTHPGDHSD17B10
SCHEMBL651607 0.90 C5AR1 (0.51) C5AR1ALDH1A1MAPTHPGDHSD17B10
SCHEMBL5136520 0.89 C5AR1 (0.61) C5AR1ALDH1A1MAPTHPGDHSD17B10
SCHEMBL651293 0.88 C5AR1 (0.49) C5AR1ALDH1A1MAPTHPGDKDM4E

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