SCHEMBL648938

SCHEMBL648938

CCCCn1c(-c2ccccc2)nc(-c2ccc(F)c(F)c2)c1CN(Cc1ccc(OC(F)F)cc1)Cc1ccc2c(c1)OCO2

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.54
GNRHR P30968 6/20 0.39
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
PTPN1 P18031 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
F2R P25116 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
UBE2M P61081 1/20 0.34
DCUN1D1 Q96GG9 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
SCHEMBL1912946 0.94 C5AR1 (0.62) C5AR1GNRHRPPARGPPARAPTPN1
SCHEMBL648488 0.93 C5AR1 (0.58) C5AR1GNRHRPPARGPPARAPTPN1
SCHEMBL652169 0.92 C5AR1 (0.55) C5AR1GNRHRPPARGPPARAPTPN1
SCHEMBL651940 0.92 C5AR1 (0.57) C5AR1GNRHRPPARGPPARAPTPN1
SCHEMBL649217 0.92 C5AR1 (0.59) C5AR1GNRHRPPARGPPARAPTPN1
SCHEMBL650609 0.92 C5AR1 (0.63) C5AR1GNRHRPPARGPPARASMN1; SMN2
SCHEMBL650026 0.92 C5AR1 (0.54) C5AR1GNRHRPPARGPPARAPTPN1
SCHEMBL650155 0.91 C5AR1 (0.58) C5AR1GNRHRPPARGPPARASMN1; SMN2
SCHEMBL648489 0.91 C5AR1 (0.56) C5AR1GNRHRPPARGPPARAPTPN1
SCHEMBL647750 0.91 C5AR1 (0.39) C5AR1LMNAALDH1A1TSHR

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