SCHEMBL651356

SCHEMBL651356

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccc(OC(F)F)cc1)C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.41
ALDH1A1 P00352 4/20 0.37
MDM2 Q00987 4/20 0.35
TSHR P16473 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KMT2A Q03164 1/20 0.34
BCHE P06276 3/20 0.33
KDM4E B2RXH2 2/20 0.33
CYP3A4 P08684 2/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
HTT P42858 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
ADORA1 P30542 1/20 0.33
LMNA P02545 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
SCHEMBL653125 0.99 C5AR1 (0.42) C5AR1ALDH1A1MDM2TSHRSMN1; SMN2
SCHEMBL650100 0.88 C5AR1 (0.40) C5AR1ALDH1A1MDM2TSHRSMN1; SMN2
SCHEMBL651033 0.86 C5AR1 (0.44) C5AR1ALDH1A1TSHRKDM4EHPGD
SCHEMBL651956 0.85 C5AR1 (0.43) C5AR1ALDH1A1TSHRSMN1; SMN2BCHE
SCHEMBL652505 0.84 C5AR1 (0.42) C5AR1ALDH1A1TSHRKDM4ECYP3A4
SCHEMBL650283 0.83 C5AR1 (0.42) C5AR1ALDH1A1TSHRBCHEKDM4E
SCHEMBL650616 0.83 C5AR1 (0.42) C5AR1ALDH1A1TSHRSMN1; SMN2KDM4E
SCHEMBL652236 0.83 C5AR1 (0.42) C5AR1ALDH1A1TSHRBCHEKDM4E
SCHEMBL650201 0.82 C5AR1 (0.41) C5AR1ALDH1A1TSHRBCHEKDM4E
SCHEMBL650580 0.82 C5AR1 (0.41) C5AR1ALDH1A1TSHRKDM4EHTT

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