SCHEMBL650477

SCHEMBL650477

CCCCn1c(-c2ccccc2C)nc(Cl)c1CN(CCC(C)C)Cc1ccc(OCC)cc1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.34
MEN1 O00255 1/20 0.34
TP53 P04637 2/20 0.34
NPC1 O15118 1/20 0.34
GAA P10253 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CRHR1 P34998 2/20 0.34
CNR2 P34972 6/20 0.33
CNR1 P21554 3/20 0.33
BCHE P06276 2/20 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
SCHEMBL648120 0.92 SMPD1 (0.38) KMT2AMEN1TP53NPC1GAA
SCHEMBL650387 0.91 BCHE (0.35) KMT2AMEN1CRHR1BCHE
SCHEMBL648095 0.85 LPAR1 (0.40) KMT2A
SCHEMBL649425 0.85 KMT2A (0.37) KMT2A
SCHEMBL648465 0.85 RORC (0.36) KMT2AMEN1SMN1; SMN2CRHR1
SCHEMBL649586 0.85 CALM1 (0.38) KMT2AMEN1CRHR1CNR2
SCHEMBL5181418 0.83 SMPD1 (0.40) TP53NPC1SMN1; SMN2CRHR1CNR2
SCHEMBL651294 0.82 BCHE (0.40) KMT2AMEN1CRHR1BCHE
SCHEMBL651183 0.82 CRHR1 (0.39) KMT2AMEN1GAACRHR1
SCHEMBL1913104 0.82 C5AR1 (0.42) KMT2AMEN1MAPK1SMN1; SMN2CRHR1

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
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