SCHEMBL650285

SCHEMBL650285

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccc(OC(F)F)cc1)Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.41
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NR1H4 Q96RI1 1/20 0.37
PTPN1 P18031 2/20 0.36
LTB4R2 Q9NPC1 2/20 0.35
P2RX3 P56373 1/20 0.35
UBE2M P61081 3/20 0.34
DCUN1D1 Q96GG9 3/20 0.34
CRHR1 P34998 2/20 0.34
TRPV4 Q9HBA0 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
ADORA2B P29275 1/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MMP13 P45452 1/20 0.34
BACE1 P56817 1/20 0.34

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
SCHEMBL653237 0.94 C5AR1 (0.40) C5AR1MEN1KMT2ANR1H4PTPN1
SCHEMBL1912970 0.93 C5AR1 (0.40) C5AR1PTPN1CRHR1ALDH1A1HTT
SCHEMBL648790 0.92 C5AR1 (0.43) C5AR1ALDH1A1HTTTSHRBACE1
SCHEMBL651956 0.92 C5AR1 (0.43) C5AR1ALDH1A1HTTTSHRSMN1; SMN2
SCHEMBL651033 0.91 C5AR1 (0.44) C5AR1ALDH1A1HTTTSHRMMP13
SCHEMBL650105 0.91 C5AR1 (0.46) C5AR1MEN1KMT2AP2RX3UBE2M
SCHEMBL648764 0.91 C5AR1 (0.40) C5AR1MEN1KMT2ANR1H4P2RX3
SCHEMBL651407 0.91 C5AR1 (0.42) C5AR1CRHR1
SCHEMBL648971 0.90 C5AR1 (0.42) C5AR1MEN1KMT2ANR1H4LTB4R2
SCHEMBL649510 0.90 NR1H4 (0.46) C5AR1MEN1KMT2ANR1H4LTB4R2

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