SCHEMBL649676

SCHEMBL649676

CCCCn1c(-c2ccccc2)nc(C(F)(F)F)c1CN(CCC(C)C)Cc1ccc(C(N)=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 11/20 0.41
RORC P51449 2/20 0.38
JAK2 O60674 2/20 0.37
JAK1 P23458 2/20 0.37
TYK2 P29597 2/20 0.37
JAK3 P52333 2/20 0.37
KMT2A Q03164 1/20 0.35
C5AR1 P21730 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
SCHEMBL651341 0.94 CRHR1 (0.42) CRHR1C5AR1
SCHEMBL648691 0.94 RORC (0.41) CRHR1RORCJAK2JAK1TYK2
SCHEMBL649162 0.93 CRHR1 (0.46) CRHR1JAK2JAK1TYK2JAK3
SCHEMBL652369 0.91 CRHR1 (0.40) CRHR1
SCHEMBL650027 0.87 CRHR1 (0.40) CRHR1C5AR1
SCHEMBL651157 0.86 JAK2 (0.36) CRHR1JAK2JAK1TYK2JAK3
SCHEMBL1913039 0.86 CRHR1 (0.47) CRHR1C5AR1
SCHEMBL4766197 0.85 JAK2 (0.42) CRHR1JAK2JAK1TYK2JAK3
SCHEMBL651072 0.85 GPR52 (0.43) CRHR1JAK2JAK1TYK2JAK3
SCHEMBL650306 0.84 CRHR1 (0.38) CRHR1C5AR1

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