SCHEMBL1915973

SCHEMBL1915973

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccc(O)cc1)Cc1ccc(C(C)=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.42
TSHR P16473 2/20 0.39
LTB4R2 Q9NPC1 2/20 0.38
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NR1H3 Q13133 1/20 0.35
HRH3 Q9Y5N1 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
SCHEMBL649496 0.95 C5AR1 (0.44) C5AR1TSHRALDH1A1KDM4EHPGD
SCHEMBL650270 0.91 C5AR1 (0.43) C5AR1TSHRLTB4R2ALDH1A1KDM4E
SCHEMBL5135444 0.91 C5AR1 (0.47) C5AR1TSHRLTB4R2ALDH1A1KDM4E
SCHEMBL5137880 0.88 C5AR1 (0.45) C5AR1TSHRLTB4R2ALDH1A1KDM4E
SCHEMBL1915992 0.88 BCHE (0.42) C5AR1HPGD
SCHEMBL5136942 0.87 C5AR1 (0.46) C5AR1TSHRLTB4R2ALDH1A1KDM4E
SCHEMBL650123 0.87 C5AR1 (0.39) C5AR1TSHRALDH1A1KDM4EHRH3
SCHEMBL4766671 0.87 C5AR1 (0.44) C5AR1TSHRALDH1A1KDM4EHPGD
SCHEMBL652163 0.85 C5AR1 (0.64) C5AR1TSHRALDH1A1HPGD
SCHEMBL5136767 0.85 C5AR1 (0.41) C5AR1TSHR

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