SCHEMBL649974

SCHEMBL649974

CCCCn1c(-c2ccccc2)nc(-c2ccc(C(F)(F)F)cc2)c1CN(Cc1cccc(OC(F)(F)C(F)F)c1)Cc1ccc2c(c1)OCO2

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.55
UBE2M P61081 3/20 0.37
DCUN1D1 Q96GG9 3/20 0.37
GNRHR P30968 4/20 0.37
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CETP P11597 3/20 0.35
ALDH1A1 P00352 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
TSHR P16473 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 0.96 C5AR1 (0.59) C5AR1UBE2MDCUN1D1GNRHRHTR2A
SCHEMBL647658 0.95 C5AR1 (0.56) C5AR1UBE2MDCUN1D1GNRHRHTR2A
SCHEMBL647709 0.94 C5AR1 (0.55) C5AR1UBE2MDCUN1D1GNRHRHTR2A
SCHEMBL650172 0.94 C5AR1 (0.53) C5AR1UBE2MDCUN1D1GNRHRHTR2A
SCHEMBL648023 0.94 C5AR1 (0.54) C5AR1GNRHRHTR2AHTR2CHTR2B
SCHEMBL649741 0.94 C5AR1 (0.54) C5AR1UBE2MDCUN1D1GNRHRHTR2A
SCHEMBL652078 0.94 C5AR1 (0.54) C5AR1UBE2MDCUN1D1GNRHRHTR2A
SCHEMBL649067 0.93 C5AR1 (0.54) C5AR1GNRHRHTR2AHTR2CHTR2B
SCHEMBL651975 0.93 C5AR1 (0.53) C5AR1UBE2MDCUN1D1GNRHRHTR2A
SCHEMBL649924 0.93 C5AR1 (0.52) C5AR1UBE2MDCUN1D1GNRHRHTR2A

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