SCHEMBL648442

SCHEMBL648442

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccccc1)Cc1ccc(OC)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.45
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CASR P41180 1/20 0.38
TSHR P16473 2/20 0.37
HTR1A P08908 2/20 0.37
HTR2C P28335 2/20 0.37
HTR2B P41595 2/20 0.37
POLB P06746 1/20 0.37
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
HTR7 P34969 1/20 0.36
HTR5A P47898 1/20 0.36
HTR6 P50406 1/20 0.36
CRHR1 P34998 2/20 0.36
ADORA2A P29274 1/20 0.36

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
SCHEMBL649485 0.94 C5AR1 (0.45) C5AR1ALDH1A1MEN1KMT2ATP53
SCHEMBL651343 0.92 C5AR1 (0.47) C5AR1ALDH1A1MEN1KMT2ATP53
SCHEMBL651011 0.91 C5AR1 (0.47) C5AR1ALDH1A1MEN1KMT2ATP53
SCHEMBL5135336 0.89 C5AR1 (0.45) C5AR1ALDH1A1MEN1KMT2ATP53
SCHEMBL649931 0.89 C5AR1 (0.47) C5AR1ALDH1A1MEN1KMT2ATP53
SCHEMBL651367 0.89 C5AR1 (0.45) C5AR1MEN1KMT2ATP53GAA
SCHEMBL648986 0.89 C5AR1 (0.42) C5AR1ALDH1A1MEN1KMT2ATP53
SCHEMBL5135905 0.88 C5AR1 (0.45) C5AR1ALDH1A1TP53GAASMN1; SMN2
SCHEMBL5146342 0.88 C5AR1 (0.44) C5AR1MEN1KMT2ATP53GAA
SCHEMBL652183 0.87 C5AR1 (0.45) C5AR1TP53GAASMN1; SMN2TSHR

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