SCHEMBL649586

SCHEMBL649586

CCCCn1c(-c2ccccc2C)nc(Cl)c1CN(CCC(C)C)Cc1cccc(OC)c1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.38
CAMKK2 Q96RR4 1/20 0.38
CRHR1 P34998 7/20 0.38
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
MAPT P10636 1/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
ADORA3 P0DMS8 1/20 0.35
CNR2 P34972 1/20 0.35
PIK3CD O00329 1/20 0.34

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
SCHEMBL650387 0.93 BCHE (0.35) CRHR1KMT2AMEN1
SCHEMBL650987 0.92 CALM1 (0.41) CALM1CAMKK2CRHR1HSP90AA1HSP90AB1
SCHEMBL648120 0.91 SMPD1 (0.38) CRHR1MAPTKMT2AMEN1PIK3CD
SCHEMBL651183 0.88 CRHR1 (0.39) CRHR1MAPTKMT2AMEN1PIK3CD
SCHEMBL649371 0.86 CRHR1 (0.38) CRHR1HSP90AA1HSP90AB1MAPTKMT2A
SCHEMBL650477 0.85 KMT2A (0.34) CRHR1KMT2AMEN1CNR2
SCHEMBL651294 0.84 BCHE (0.40) CRHR1MAPTKMT2AMEN1
SCHEMBL1913104 0.83 C5AR1 (0.42) CRHR1HSP90AA1HSP90AB1MAPTKMT2A
SCHEMBL648912 0.82 KMT2A (0.37) CRHR1KMT2AMEN1
SCHEMBL650154 0.82 KMT2A (0.39) CRHR1MAPTKMT2AMEN1

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