SCHEMBL650406

SCHEMBL650406

CCCCn1c(-c2ccccc2)nc(C(F)(F)F)c1CN(Cc1cccc(OCC)c1)Cc1cccc(OCC)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 9/20 0.41
MAPT P10636 1/20 0.40
C5AR1 P21730 1/20 0.40
BCHE P06276 5/20 0.38
CETP P11597 1/20 0.38
TSHR P16473 1/20 0.37
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL651801 0.99 CRHR1 (0.42) CRHR1MAPTC5AR1BCHECETP
SCHEMBL1913045 0.92 SMN1; SMN2 (0.41) CRHR1MAPTC5AR1PPARGPPARA
SCHEMBL647849 0.92 CRHR1 (0.38) CRHR1MAPTC5AR1BCHECETP
SCHEMBL649884 0.91 CA1 (0.41) CRHR1MAPT
SCHEMBL649048 0.91 C5AR1 (0.49) CRHR1MAPTC5AR1CETPALDH1A1
SCHEMBL649823 0.91 C5AR1 (0.55) C5AR1TSHRPPARGPPARAALDH1A1
SCHEMBL649253 0.91 SQLE (0.38) CRHR1MAPTC5AR1PPARGPPARA
SCHEMBL648054 0.90 NR1H2 (0.39) CRHR1PPARGPPARA
SCHEMBL649417 0.88 C5AR1 (0.43) MAPTC5AR1BCHETSHRPPARG
SCHEMBL649258 0.88 C5AR1 (0.45) MAPTC5AR1BCHETSHRPPARG

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