SCHEMBL650062

SCHEMBL650062

CCCCn1c(-c2ccccc2)nc(Br)c1CN(Cc1cccc(OCC)c1)Cc1ccc2c(c1)OCCO2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.49
MAPT P10636 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
PTGDR2 Q9Y5Y4 2/20 0.37
CYP2C8 P10632 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
GAA P10253 1/20 0.34

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
SCHEMBL648452 0.95 C5AR1 (0.55) C5AR1MAPTLMNASMN1; SMN2L3MBTL1
SCHEMBL650859 0.92 C5AR1 (0.51) C5AR1MAPTALDH1A1MAPK1OPRM1
SCHEMBL648633 0.91 C5AR1 (0.50) C5AR1MAPTALDH1A1MAPK1OPRM1
SCHEMBL648859 0.91 C5AR1 (0.56) C5AR1MAPTALDH1A1MAPK1OPRM1
SCHEMBL650031 0.91 C5AR1 (0.49) C5AR1MAPTALDH1A1MAPK1OPRM1
SCHEMBL1913068 0.91 C5AR1 (0.49) C5AR1MAPTALDH1A1MAPK1OPRM1
SCHEMBL649549 0.90 MAPT (0.45) C5AR1MAPTALDH1A1PPARGPPARA
SCHEMBL648247 0.89 C5AR1 (0.47) C5AR1MAPTALDH1A1MAPK1OPRM1
SCHEMBL649427 0.89 C5AR1 (0.47) C5AR1MAPTALDH1A1MAPK1OPRM1
SCHEMBL649048 0.89 C5AR1 (0.49) C5AR1MAPTALDH1A1MAPK1OPRM1

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 9 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
EP-1490044-A4 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORP (US) 2008-04-16 EP 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
EP-1490044-A1 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORPORATION (US) 2004-12-29 EP disclosed
WO-2003084524-A1 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORPORATION (US) 2003-10-16 WO disclosed