SCHEMBL648525

SCHEMBL648525

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1cccc(C(F)(F)F)c1)Cc1ccccc1OC(F)F

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.40
SLC1A5 Q15758 1/20 0.37
HTR2A P28223 3/20 0.35
HTR2C P28335 3/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ICMT O60725 1/20 0.34
TRPV4 Q9HBA0 2/20 0.34
ADORA2B P29275 2/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
P2RX3 P56373 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TSHR P16473 1/20 0.32
UBE2M P61081 2/20 0.32
DCUN1D1 Q96GG9 2/20 0.32
CRHR1 P34998 1/20 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
SCHEMBL649706 0.91 C5AR1 (0.41) C5AR1TSHRCRHR1
SCHEMBL648764 0.91 C5AR1 (0.40) C5AR1MEN1KMT2ATRPV4ADORA2B
SCHEMBL650152 0.90 C5AR1 (0.40) C5AR1MEN1KMT2ATRPV4ADORA2B
SCHEMBL653237 0.90 C5AR1 (0.40) C5AR1MEN1KMT2ATRPV4ADORA2B
SCHEMBL650285 0.89 C5AR1 (0.41) C5AR1MEN1KMT2ATRPV4ADORA2B
SCHEMBL649007 0.88 C5AR1 (0.39) C5AR1MEN1KMT2ATRPV4ADORA2B
SCHEMBL650105 0.88 C5AR1 (0.46) C5AR1MEN1KMT2ATRPV4ADORA2B
SCHEMBL651639 0.86 C5AR1 (0.41) C5AR1TSHR
SCHEMBL648926 0.86 C5AR1 (0.41) C5AR1MEN1KMT2A
SCHEMBL651067 0.85 C5AR1 (0.42) C5AR1MEN1KMT2AICMTTRPV4

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