SCHEMBL1912946

SCHEMBL1912946

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccc(OC(F)F)cc1)Cc1ccc2c(c1)OCO2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.62
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GNRHR P30968 4/20 0.39
PTPN1 P18031 1/20 0.39
ALDH1A1 P00352 1/20 0.38
TSHR P16473 2/20 0.38
TDP1 Q9NUW8 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
HSP90AA1 P07900 2/20 0.37
HSP90AB1 P08238 2/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
CASP1 P29466 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
SCHEMBL649217 0.97 C5AR1 (0.59) C5AR1PPARGPPARASMN1; SMN2LMNA
SCHEMBL648488 0.96 C5AR1 (0.58) C5AR1PPARGPPARASMN1; SMN2LMNA
SCHEMBL650155 0.96 C5AR1 (0.58) C5AR1PPARGPPARASMN1; SMN2LMNA
SCHEMBL650543 0.96 C5AR1 (0.57) C5AR1PPARGPPARASMN1; SMN2LMNA
SCHEMBL651940 0.96 C5AR1 (0.57) C5AR1PPARGPPARASMN1; SMN2LMNA
SCHEMBL648489 0.95 C5AR1 (0.56) C5AR1PPARGPPARASMN1; SMN2LMNA
SCHEMBL652169 0.94 C5AR1 (0.55) C5AR1PPARGPPARASMN1; SMN2LMNA
SCHEMBL649780 0.94 C5AR1 (0.60) C5AR1PPARGPPARASMN1; SMN2LMNA
SCHEMBL649903 0.94 C5AR1 (0.54) C5AR1PPARGPPARASMN1; SMN2LMNA
SCHEMBL648938 0.94 C5AR1 (0.54) C5AR1PPARGPPARASMN1; SMN2LMNA

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 8 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
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