SCHEMBL651302

SCHEMBL651302

CCCCn1c(-c2ccccc2C)nc(-c2ccc(C)cc2)c1CN(Cc1ccc(C(=O)O)cc1)Cc1ccc2c(c1)OCCO2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.46
PTGES O14684 2/20 0.41
ALOX5 P09917 2/20 0.41
LTA4H P09960 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
TAS2R14 Q9NYV8 1/20 0.36
ALDH1A1 P00352 6/20 0.36
TSHR P16473 3/20 0.36
HPGD P15428 2/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.35
MAPT P10636 1/20 0.35
LTB4R2 Q9NPC1 1/20 0.35
PTGDR2 Q9Y5Y4 3/20 0.35
NR1H4 Q96RI1 1/20 0.35
CYP2C8 P10632 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL650523 0.96 C5AR1 (0.50) C5AR1PTGESALOX5LTA4HMEN1
SCHEMBL650570 0.93 C5AR1 (0.55) C5AR1PTGESALOX5LTA4HMEN1
SCHEMBL1913112 0.92 C5AR1 (0.43) C5AR1MEN1KMT2AALDH1A1TSHR
SCHEMBL650916 0.89 C5AR1 (0.58) C5AR1PTGESALOX5LTA4HMEN1
SCHEMBL652625 0.89 LTB4R2 (0.41) PTGESALOX5TAS2R14TSHRLTB4R2
SCHEMBL1913113 0.89 C5AR1 (0.48) C5AR1PTGESALOX5MEN1KMT2A
SCHEMBL1913100 0.89 C5AR1 (0.42) C5AR1PTGESALOX5LTA4HMEN1
SCHEMBL648947 0.88 C5AR1 (0.41) C5AR1PTGESALOX5LTA4HMEN1
SCHEMBL649578 0.87 C5AR1 (0.53) C5AR1PTGESALOX5LTA4HTAS2R14
SCHEMBL652457 0.87 C5AR1 (0.53) C5AR1PTGESALOX5LTA4HTAS2R14

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 4 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