SCHEMBL650893

SCHEMBL650893

CCCCn1c(-c2ccccc2)nc(-c2ccc(F)c(F)c2)c1CN(Cc1cccc(OC(F)(F)C(F)F)c1)Cc1ccc2c(c1)OCO2

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.52
GNRHR P30968 4/20 0.38
F2R P25116 1/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
UBE2M P61081 2/20 0.35
DCUN1D1 Q96GG9 2/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CETP P11597 3/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
CTSL P07711 1/20 0.34
ALDH1A1 P00352 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 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
SCHEMBL648225 0.94 C5AR1 (0.59) C5AR1GNRHRF2RHTR2AHTR2C
SCHEMBL647709 0.93 C5AR1 (0.55) C5AR1GNRHRF2RHTR2AHTR2C
SCHEMBL647664 0.93 C5AR1 (0.53) C5AR1GNRHRF2RHTR2AHTR2C
SCHEMBL649924 0.93 C5AR1 (0.52) C5AR1GNRHRHTR2AHTR2CHTR2B
SCHEMBL647949 0.93 C5AR1 (0.52) C5AR1GNRHRF2RHTR2AHTR2C
SCHEMBL649741 0.93 C5AR1 (0.54) C5AR1GNRHRF2RHTR2AHTR2C
SCHEMBL647658 0.93 C5AR1 (0.56) C5AR1GNRHRF2RHTR2AHTR2C
SCHEMBL647917 0.93 C5AR1 (0.54) C5AR1GNRHRF2RHTR2AHTR2C
SCHEMBL651747 0.93 C5AR1 (0.54) C5AR1GNRHRF2RHTR2AHTR2C
SCHEMBL1912826 0.92 C5AR1 (0.53) C5AR1GNRHRF2RHTR2AHTR2C

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040116424-A1 Aryl imidazoles and related compounds as C5a receptor modulators NEUROGEN CORPORATION 2004-06-17 US claimed
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