SCHEMBL648155

SCHEMBL648155

CCCCn1c(-c2ccccc2)nc(C=Cc2ccc(F)cc2)c1CN(Cc1ccc2c(c1)OCO2)Cc1ccc2c(c1)OCO2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 3/20 0.40
HSP90AA1 P07900 2/20 0.39
HSP90AB1 P08238 2/20 0.39
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
F2R P25116 2/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
PKM P14618 1/20 0.35
KDM4E B2RXH2 3/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
GFER P55789 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
SCHEMBL648154 1.00 C5AR1 (0.56) C5AR1SMN1; SMN2LMNAL3MBTL1ALDH1A1
SCHEMBL648435 0.94 C5AR1 (0.60) C5AR1SMN1; SMN2LMNAL3MBTL1ALDH1A1
SCHEMBL648436 0.94 C5AR1 (0.60) C5AR1SMN1; SMN2LMNAL3MBTL1ALDH1A1
SCHEMBL1913046 0.88 C5AR1 (0.60) C5AR1SMN1; SMN2LMNAL3MBTL1ALDH1A1
SCHEMBL651404 0.88 C5AR1 (0.60) C5AR1SMN1; SMN2LMNAL3MBTL1ALDH1A1
SCHEMBL651405 0.88 C5AR1 (0.60) C5AR1SMN1; SMN2LMNAL3MBTL1ALDH1A1
SCHEMBL649775 0.86 C5AR1 (0.52) C5AR1SMN1; SMN2LMNAL3MBTL1ALDH1A1
SCHEMBL649776 0.86 C5AR1 (0.52) C5AR1SMN1; SMN2LMNAL3MBTL1ALDH1A1
SCHEMBL1912861 0.86 C5AR1 (0.68) C5AR1SMN1; SMN2LMNAL3MBTL1ALDH1A1
SCHEMBL650779 0.86 C5AR1 (0.68) C5AR1SMN1; SMN2LMNAL3MBTL1ALDH1A1

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 5 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
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
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