SCHEMBL1913632

SCHEMBL1913632

CCCCN(Cc1ccc(C=O)cc1)[C@H](C)c1c(-c2ccccc2)nc(-c2ccccc2)n1CCCC

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.42
TSHR P16473 4/20 0.38
KDM4E B2RXH2 5/20 0.38
ALDH1A1 P00352 5/20 0.38
HPGD P15428 5/20 0.38
HSD17B10 Q99714 5/20 0.38
CYP3A4 P08684 4/20 0.34
HDAC1 Q13547 3/20 0.33
HSD11B1 P28845 2/20 0.33
KCNH2 Q12809 1/20 0.33
NR1H3 Q13133 1/20 0.33
ADORA2B P29275 1/20 0.32
PDE4B Q07343 1/20 0.32

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
SCHEMBL650430 0.87 C5AR1 (0.42) C5AR1TSHRKDM4EALDH1A1HPGD
SCHEMBL647984 0.87 C5AR1 (0.42) C5AR1TSHRKDM4EALDH1A1HPGD
SCHEMBL647985 0.87 C5AR1 (0.42) C5AR1TSHRKDM4EALDH1A1HPGD
SCHEMBL1912806 0.85 C5AR1 (0.41) C5AR1TSHRKDM4EALDH1A1HPGD
SCHEMBL652002 0.85 JAK2 (0.42) C5AR1TSHRKDM4EALDH1A1HPGD
SCHEMBL647694 0.85 JAK2 (0.42) C5AR1TSHRKDM4EALDH1A1HPGD
SCHEMBL647693 0.85 JAK2 (0.42) C5AR1TSHRKDM4EALDH1A1HPGD
SCHEMBL27576553 0.85 C5AR1 (0.47) C5AR1TSHRKDM4EALDH1A1HPGD
SCHEMBL650693 0.84 LPAR1 (0.40) C5AR1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL650681 0.84 LPAR1 (0.40) C5AR1KDM4EALDH1A1HPGDHSD17B10

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 1 patent. 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