SCHEMBL648166

SCHEMBL648166

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1cc(F)cc(F)c1)Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.43
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TRPV4 Q9HBA0 3/20 0.37
TSHR P16473 2/20 0.37
ADORA2B P29275 2/20 0.36
TLR8 Q9NR97 1/20 0.36
P2RX3 P56373 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
CRHR1 P34998 2/20 0.35
UBE2M P61081 2/20 0.35
DCUN1D1 Q96GG9 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
DHFR P00374 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL650105 0.94 C5AR1 (0.46) C5AR1MEN1KMT2ATRPV4TSHR
SCHEMBL5136743 0.91 C5AR1 (0.45) C5AR1MEN1KMT2ATRPV4TSHR
SCHEMBL651777 0.91 C5AR1 (0.46) C5AR1MEN1KMT2ATSHRCRHR1
SCHEMBL649523 0.90 MEN1 (0.46) C5AR1MEN1KMT2ATRPV4TSHR
SCHEMBL5137122 0.90 MEN1 (0.46) C5AR1MEN1KMT2ATRPV4TSHR
SCHEMBL649941 0.89 C5AR1 (0.41) C5AR1MEN1KMT2ATRPV4TSHR
SCHEMBL647725 0.88 C5AR1 (0.41) C5AR1TSHRCRHR1UBE2MDCUN1D1
SCHEMBL648704 0.88 C5AR1 (0.42) C5AR1MEN1KMT2ATRPV4TSHR
SCHEMBL1915352 0.88 C5AR1 (0.42) C5AR1MEN1KMT2ATRPV4TSHR
SCHEMBL651067 0.88 C5AR1 (0.42) C5AR1MEN1KMT2ATRPV4TSHR

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
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