SCHEMBL651777

SCHEMBL651777

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccccc1)Cc1cc(F)cc(F)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.46
TSHR P16473 4/20 0.42
UBE2M P61081 1/20 0.38
DCUN1D1 Q96GG9 1/20 0.38
CRHR1 P34998 2/20 0.37
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
HPGD P15428 3/20 0.37
HSD17B10 Q99714 3/20 0.37
P2RX7 Q99572 2/20 0.36
PDE4B Q07343 2/20 0.36
NR1H3 Q13133 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 2/20 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
SCHEMBL1915525 0.93 C5AR1 (0.44) C5AR1TSHRUBE2MDCUN1D1CRHR1
SCHEMBL651250 0.93 C5AR1 (0.45) C5AR1TSHRCRHR1KDM4EALDH1A1
SCHEMBL5072370 0.92 C5AR1 (0.47) C5AR1TSHRKDM4EALDH1A1HPGD
SCHEMBL5135647 0.92 C5AR1 (0.43) C5AR1TSHRKDM4EALDH1A1HPGD
SCHEMBL651094 0.91 TSHR (0.50) C5AR1TSHRKDM4EALDH1A1HPGD
SCHEMBL648166 0.91 C5AR1 (0.43) C5AR1TSHRUBE2MDCUN1D1CRHR1
SCHEMBL649675 0.89 C5AR1 (0.42) C5AR1TSHRKDM4EALDH1A1HPGD
SCHEMBL5135688 0.88 C5AR1 (0.45) C5AR1TSHRCRHR1KDM4EALDH1A1
SCHEMBL5135922 0.88 C5AR1 (0.49) C5AR1TSHRKDM4EALDH1A1HPGD
SCHEMBL5134962 0.88 C5AR1 (0.48) C5AR1TSHRCRHR1KDM4EALDH1A1

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