SCHEMBL653237

SCHEMBL653237

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1cccc(OC(F)F)c1)Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.40
NR1H3 Q13133 1/20 0.39
PPARG P37231 2/20 0.37
PPARA Q07869 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
TRPV4 Q9HBA0 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MEP1B Q16820 1/20 0.36
PPARD Q03181 1/20 0.35
PTPN1 P18031 2/20 0.35
UBE2M P61081 2/20 0.35
DCUN1D1 Q96GG9 2/20 0.35
NR1H4 Q96RI1 1/20 0.35
ADORA2B P29275 1/20 0.34
MDM2 Q00987 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
SCHEMBL650285 0.94 C5AR1 (0.41) C5AR1SMN1; SMN2HTTTRPV4MEN1
SCHEMBL648222 0.93 C5AR1 (0.43) C5AR1PPARGPPARAKDM4EHTT
SCHEMBL648926 0.93 C5AR1 (0.41) C5AR1NR1H3SMN1; SMN2MEN1KMT2A
SCHEMBL648790 0.91 C5AR1 (0.43) C5AR1PPARGPPARAHTTMEP1B
SCHEMBL649007 0.90 C5AR1 (0.39) C5AR1TRPV4MEN1KMT2AUBE2M
SCHEMBL651220 0.90 C5AR1 (0.41) C5AR1NR1H3SMN1; SMN2KDM4EHTT
SCHEMBL651691 0.90 C5AR1 (0.42) C5AR1PPARGPPARAHTTMEP1B
SCHEMBL650105 0.90 C5AR1 (0.46) C5AR1KDM4ETRPV4MEN1KMT2A
SCHEMBL648764 0.90 C5AR1 (0.40) C5AR1TRPV4MEN1KMT2AUBE2M
SCHEMBL648525 0.90 C5AR1 (0.40) C5AR1TRPV4MEN1KMT2AUBE2M

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