SCHEMBL649555

SCHEMBL649555

CCCCn1c(-c2c(C)cccc2C)nc(Cl)c1CN(Cc1ccc(OC)cc1)CC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
ALDH1A1 P00352 3/20 0.34
TLR7 Q9NYK1 3/20 0.34
NPC1 O15118 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SMPD1 P17405 1/20 0.33
PROKR1 Q8TCW9 1/20 0.33
CRHR1 P34998 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TSHR P16473 3/20 0.32
LMNA P02545 2/20 0.32
PDE4B Q07343 1/20 0.32
CASR P41180 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSP90AA1 P07900 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
SCHEMBL649322 0.85 SQLE (0.35) TLR7HSP90AA1HSP90AB1
SCHEMBL651107 0.82 TSHR (0.38) SMN1; SMN2TP53MAPTALDH1A1TSHR
SCHEMBL651362 0.79 CRHR1 (0.35) CRHR1TLR8CNR2
SCHEMBL5181418 0.79 SMPD1 (0.40) SMN1; SMN2TP53MAPTALDH1A1NPC1
SCHEMBL1913115 0.76 USP2 (0.38) SMN1; SMN2MAPTALDH1A1CRHR1LMNA
SCHEMBL648120 0.76 SMPD1 (0.38) SMN1; SMN2TP53MAPTALDH1A1NPC1
SCHEMBL652197 0.75 AGTR1 (0.35) TLR7
SCHEMBL647745 0.74 AGTR1 (0.35) SMN1; SMN2ALDH1A1
SCHEMBL651422 0.74 AGTR1 (0.42) PPARGPPARA
SCHEMBL5181407 0.74 SMPD1 (0.41) SMN1; SMN2TP53MAPTALDH1A1NPC1

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