SCHEMBL648452

SCHEMBL648452

CCCCn1c(-c2ccccc2)nc(Br)c1CN(Cc1cccc(OCC)c1)Cc1ccc2c(c1)OCO2

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PPARG P37231 2/20 0.39
PPARA Q07869 2/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.38
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TP53 P04637 2/20 0.37
POLB P06746 1/20 0.37
F2R P25116 1/20 0.37
PPARD Q03181 1/20 0.36

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
SCHEMBL650062 0.95 C5AR1 (0.49) C5AR1SMN1; SMN2LMNAL3MBTL1PPARG
SCHEMBL1913026 0.91 C5AR1 (0.56) C5AR1SMN1; SMN2LMNAL3MBTL1PPARG
SCHEMBL648344 0.91 C5AR1 (0.63) C5AR1SMN1; SMN2LMNAL3MBTL1PPARG
SCHEMBL1913058 0.91 C5AR1 (0.56) C5AR1SMN1; SMN2LMNAL3MBTL1PPARG
SCHEMBL649605 0.91 C5AR1 (0.65) C5AR1SMN1; SMN2LMNAL3MBTL1PPARG
SCHEMBL649528 0.91 C5AR1 (0.55) C5AR1SMN1; SMN2LMNAL3MBTL1PPARG
SCHEMBL649243 0.91 C5AR1 (0.60) C5AR1SMN1; SMN2LMNAL3MBTL1PPARG
SCHEMBL649549 0.90 MAPT (0.45) C5AR1PPARGPPARAMAPTTSHR
SCHEMBL649030 0.89 C5AR1 (0.60) C5AR1SMN1; SMN2LMNAL3MBTL1PPARG
SCHEMBL651150 0.89 C5AR1 (0.61) C5AR1SMN1; SMN2LMNAL3MBTL1PPARG

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