SCHEMBL649485

SCHEMBL649485

CCCCN(Cc1ccc(OC)c(Cl)c1)Cc1c(-c2ccccc2)nc(-c2ccccc2)n1CCCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.45
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CRHR1 P34998 3/20 0.39
HTR1A P08908 2/20 0.38
HTR2C P28335 2/20 0.38
HTR2B P41595 2/20 0.38
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CASR P41180 1/20 0.37
TSHR P16473 1/20 0.37
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
BCHE P06276 1/20 0.36
HTR7 P34969 1/20 0.35
HTR5A P47898 1/20 0.35
HTR6 P50406 1/20 0.35
ADORA2A P29274 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
SCHEMBL648442 0.94 C5AR1 (0.45) C5AR1ALDH1A1MEN1KMT2ACRHR1
SCHEMBL649655 0.92 C5AR1 (0.47) C5AR1ALDH1A1MEN1KMT2ATP53
SCHEMBL648191 0.91 C5AR1 (0.46) C5AR1ALDH1A1MEN1KMT2ACRHR1
SCHEMBL648382 0.90 C5AR1 (0.48) C5AR1ALDH1A1CRHR1TSHRBCHE
SCHEMBL5135690 0.90 C5AR1 (0.42) C5AR1ALDH1A1CRHR1HTR2CTP53
SCHEMBL1912916 0.89 C5AR1 (0.47) C5AR1ALDH1A1MEN1KMT2ACRHR1
SCHEMBL652664 0.89 C5AR1 (0.45) C5AR1MEN1KMT2ACRHR1TP53
SCHEMBL5134637 0.89 C5AR1 (0.45) C5AR1MEN1KMT2ACRHR1TP53
SCHEMBL648345 0.89 C5AR1 (0.42) C5AR1ALDH1A1MEN1KMT2ACRHR1
SCHEMBL5070097 0.89 TP53 (0.48) C5AR1ALDH1A1MEN1KMT2ATP53

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