SCHEMBL647843

SCHEMBL647843

CCCCn1c(-c2ccccc2OC)nc(C(F)(F)F)c1CN(Cc1cccc(OCC)c1)Cc1cccc(OCC)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 7/20 0.37
TAAR1 Q96RJ0 1/20 0.37
MAPT P10636 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
BCL2L2 Q92843 1/20 0.35
HTR1A P08908 2/20 0.34
HTR2C P28335 2/20 0.34
HTR2B P41595 2/20 0.34
SQLE Q14534 1/20 0.34
BCHE P06276 2/20 0.34
CETP P11597 1/20 0.34
CHRNA7 P36544 1/20 0.34
HTR7 P34969 2/20 0.33
HTR5A P47898 1/20 0.33

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
SCHEMBL650053 0.91 C5AR1 (0.38) MEN1KMT2AHTR2CHTR2B
SCHEMBL649515 0.91 C5AR1 (0.43) KDM4EMEN1KMT2AHTR2CHTR2B
SCHEMBL650406 0.87 CRHR1 (0.41) CRHR1MAPTKDM4EALDH1A1BCHE
SCHEMBL651801 0.86 CRHR1 (0.42) CRHR1MAPTBCHECETP
SCHEMBL651675 0.82 HTR2A (0.42) ALDH1A1LMNAHTR2CHTR2B
SCHEMBL651441 0.82 C5AR1 (0.40) CRHR1MEN1ALDH1A1LMNAKMT2A
SCHEMBL649407 0.82 C5AR1 (0.49) LMNAHSP90AA1HSP90AB1HTR1AHTR2C
SCHEMBL647849 0.80 CRHR1 (0.38) CRHR1MAPTALDH1A1BCHECETP
SCHEMBL1913045 0.80 SMN1; SMN2 (0.41) CRHR1MAPT
SCHEMBL5136781 0.80 HTR2C (0.38) MEN1KMT2AHTR1AHTR2CHTR2B

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