SCHEMBL653125

SCHEMBL653125

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccc(OC(F)F)cc1)C1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.42
ALDH1A1 P00352 3/20 0.36
MDM2 Q00987 4/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
BCHE P06276 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
HTT P42858 1/20 0.33
LMNA P02545 1/20 0.33
IGF1R P08069 1/20 0.33
DAGLA Q9Y4D2 1/20 0.33

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
SCHEMBL651356 0.99 C5AR1 (0.41) C5AR1ALDH1A1MDM2TSHRKMT2A
SCHEMBL650100 0.87 C5AR1 (0.40) C5AR1ALDH1A1MDM2TSHRBCHE
SCHEMBL651033 0.86 C5AR1 (0.44) C5AR1ALDH1A1TSHRHTTLMNA
SCHEMBL651956 0.86 C5AR1 (0.43) C5AR1ALDH1A1TSHRBCHESMN1; SMN2
SCHEMBL652505 0.85 C5AR1 (0.42) C5AR1ALDH1A1TSHRHTTLMNA
SCHEMBL650616 0.84 C5AR1 (0.42) C5AR1ALDH1A1TSHRSMN1; SMN2HTT
SCHEMBL650283 0.84 C5AR1 (0.42) C5AR1ALDH1A1TSHRBCHELMNA
SCHEMBL652236 0.84 C5AR1 (0.42) C5AR1ALDH1A1TSHRBCHEHTT
SCHEMBL650201 0.83 C5AR1 (0.41) C5AR1ALDH1A1TSHRBCHELMNA
SCHEMBL5135971 0.83 C5AR1 (0.41) C5AR1ALDH1A1TSHRBCHESMN1; 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 8 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
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