SCHEMBL650270

SCHEMBL650270

CCCCN(Cc1ccc(C(C)=O)cc1)Cc1c(-c2ccccc2)nc(-c2ccccc2)n1CCCC

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.43
TSHR P16473 2/20 0.39
HDAC1 Q13547 2/20 0.39
LTA4H P09960 1/20 0.38
AGTR1 P30556 1/20 0.38
AGTR2 P50052 1/20 0.38
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
CRHR1 P34998 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
LTB4R2 Q9NPC1 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
SCHEMBL649496 0.94 C5AR1 (0.44) C5AR1TSHRKDM4EALDH1A1HPGD
SCHEMBL5074064 0.93 LTA4H (0.45) C5AR1TSHRHDAC1LTA4HAGTR1
SCHEMBL4766957 0.91 C5AR1 (0.42) C5AR1TSHRHDAC1LTA4HAGTR1
SCHEMBL1915973 0.91 C5AR1 (0.42) C5AR1TSHRKDM4EALDH1A1HPGD
SCHEMBL5135677 0.91 C5AR1 (0.42) C5AR1HDAC1HDAC3HDAC2HDAC6
SCHEMBL5135950 0.90 LPAR1 (0.42) C5AR1HDAC1AGTR1PPARGPPARA
SCHEMBL5137860 0.90 C5AR1 (0.41) C5AR1TSHRHDAC1AGTR1AGTR2
SCHEMBL5137489 0.89 C5AR1 (0.48) C5AR1TSHRCRHR1KDM4EALDH1A1
SCHEMBL649161 0.89 C5AR1 (0.47) C5AR1TSHRCRHR1KDM4EALDH1A1
SCHEMBL5135312 0.88 C5AR1 (0.46) C5AR1TSHRHDAC1CRHR1KDM4E

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