SCHEMBL1912970

SCHEMBL1912970

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccc(OC(F)F)cc1)Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.40
PTPN1 P18031 2/20 0.39
MDM2 Q00987 5/20 0.37
TSHR P16473 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CASR P41180 1/20 0.35
MMP13 P45452 1/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
LMNA P02545 1/20 0.33
DHFR P00374 1/20 0.33
CRHR1 P34998 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL651033 0.95 C5AR1 (0.44) C5AR1TSHRALDH1A1KDM4EMMP13
SCHEMBL651956 0.94 C5AR1 (0.43) C5AR1TSHRALDH1A1KDM4EMMP13
SCHEMBL650285 0.93 C5AR1 (0.41) C5AR1PTPN1TSHRALDH1A1MMP13
SCHEMBL651505 0.92 C5AR1 (0.40) C5AR1TSHRALDH1A1MMP13PPARG
SCHEMBL1912971 0.91 C5AR1 (0.39) C5AR1PTPN1MDM2TSHRALDH1A1
SCHEMBL5135971 0.91 C5AR1 (0.41) C5AR1TSHRALDH1A1KDM4ELMNA
SCHEMBL650580 0.91 C5AR1 (0.41) C5AR1TSHRALDH1A1KDM4ELMNA
SCHEMBL652505 0.91 C5AR1 (0.42) C5AR1TSHRALDH1A1KDM4ELMNA
SCHEMBL650263 0.90 C5AR1 (0.41) C5AR1TSHRALDH1A1KDM4EMMP13
SCHEMBL1913032 0.90 C5AR1 (0.41) C5AR1TSHRALDH1A1KDM4ELMNA

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