SCHEMBL648763

SCHEMBL648763

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1cccc(OC(F)F)c1)CC1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.40
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
FGFR1 P11362 1/20 0.35
FGFR2 P21802 1/20 0.35
FGFR4 P22455 1/20 0.35
FGFR3 P22607 1/20 0.35
KDR P35968 1/20 0.35
IGF1R P08069 2/20 0.34
MDM2 Q00987 1/20 0.34
MEP1B Q16820 1/20 0.34
AVPR1B P47901 1/20 0.34
CCR4 P51679 1/20 0.34
HDAC1 Q13547 1/20 0.34
PDE4B Q07343 1/20 0.33
BACE1 P56817 2/20 0.33
CCR5 P51681 1/20 0.32
PDE2A O00408 1/20 0.32
CRHR1 P34998 1/20 0.32
ALDH1A1 P00352 2/20 0.32

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
SCHEMBL650496 0.92 C5AR1 (0.40) C5AR1MEN1KMT2ACCR4CRHR1
SCHEMBL650100 0.91 C5AR1 (0.40) C5AR1MDM2CCR4HDAC1BACE1
SCHEMBL5135374 0.91 C5AR1 (0.40) C5AR1MEN1KMT2AFGFR1FGFR2
SCHEMBL5137356 0.91 MEN1 (0.45) C5AR1MEN1KMT2APDE4BALDH1A1
SCHEMBL648532 0.90 C5AR1 (0.41) C5AR1MEN1KMT2AIGF1RAVPR1B
SCHEMBL5137905 0.89 IGF1R (0.43) C5AR1MEN1KMT2AIGF1RALDH1A1
SCHEMBL648222 0.89 C5AR1 (0.43) C5AR1MEP1BPDE4BBACE1CRHR1
SCHEMBL650600 0.88 C5AR1 (0.39) C5AR1CCR4HDAC1CRHR1ALDH1A1
SCHEMBL651135 0.88 C5AR1 (0.41) C5AR1CCR4HDAC1CRHR1ALDH1A1
SCHEMBL651691 0.87 C5AR1 (0.42) C5AR1MEP1BHDAC1CRHR1ALDH1A1

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