SCHEMBL1915992

SCHEMBL1915992

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

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
C5AR1 P21730 1/20 0.41
PCK1 P35558 1/20 0.39
TSSK1B Q9BXA7 1/20 0.39
MOK Q9UQ07 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
NPC1 O15118 1/20 0.38
RORC P51449 3/20 0.38
TLR7 Q9NYK1 1/20 0.38
MTOR P42345 1/20 0.38

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
SCHEMBL1913043 0.95 C5AR1 (0.42) C5AR1PCK1TSSK1BMOKMAPT
SCHEMBL1913044 0.92 RORC (0.46) C5AR1PCK1TSSK1BMOKMAPT
SCHEMBL5135444 0.89 C5AR1 (0.47) BCHEC5AR1HPGD
SCHEMBL1915973 0.88 C5AR1 (0.42) C5AR1HPGD
SCHEMBL649926 0.88 MAPT (0.42) C5AR1PCK1TSSK1BMAPT
SCHEMBL649563 0.86 C5AR1 (0.61) C5AR1HPGDNPC1
SCHEMBL5136942 0.85 C5AR1 (0.46) C5AR1HPGD
SCHEMBL649496 0.83 C5AR1 (0.44) C5AR1HPGD
SCHEMBL5136767 0.83 C5AR1 (0.41) C5AR1
SCHEMBL1915525 0.83 C5AR1 (0.44) C5AR1HPGD

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