SCHEMBL648926

SCHEMBL648926

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

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.41
CETP P11597 16/20 0.40
NR1H3 Q13133 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL650074 0.95 C5AR1 (0.43) C5AR1CETP
SCHEMBL653237 0.93 C5AR1 (0.40) C5AR1NR1H3MEN1KMT2ASMN1; SMN2
SCHEMBL648123 0.92 C5AR1 (0.42) C5AR1CETP
SCHEMBL652216 0.91 C5AR1 (0.42) C5AR1CETP
SCHEMBL651407 0.91 C5AR1 (0.42) C5AR1CETP
SCHEMBL651220 0.89 C5AR1 (0.41) C5AR1CETPNR1H3MEN1KMT2A
SCHEMBL650172 0.89 C5AR1 (0.53) C5AR1CETPSMN1; SMN2
SCHEMBL650105 0.89 C5AR1 (0.46) C5AR1MEN1KMT2A
SCHEMBL650285 0.89 C5AR1 (0.41) C5AR1MEN1KMT2ASMN1; SMN2
SCHEMBL648225 0.88 C5AR1 (0.59) C5AR1CETPSMN1; SMN2

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 7 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
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