SCHEMBL649781

SCHEMBL649781

CCCCCN(Cc1ccc(OC(F)F)cc1)Cc1c(C(F)(F)F)nc(-c2ccccc2)n1CCCC

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 12/20 0.43
PPARG P37231 2/20 0.37
PPARA Q07869 2/20 0.37
C5AR1 P21730 1/20 0.36
TSHR P16473 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
LMNA P02545 1/20 0.35
DRD2 P14416 1/20 0.34
DRD3 P35462 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
SCHEMBL649800 0.97 CRHR1 (0.46) CRHR1PPARGPPARAC5AR1TSHR
SCHEMBL649785 0.95 CRHR1 (0.40) CRHR1C5AR1TSHRKDM4EALDH1A1
SCHEMBL648460 0.94 CRHR1 (0.41) CRHR1C5AR1TSHRALDH1A1LMNA
SCHEMBL652438 0.93 CRHR1 (0.40) CRHR1C5AR1TSHRKDM4EALDH1A1
SCHEMBL5134742 0.91 CRHR1 (0.37) CRHR1C5AR1TSHRKDM4EALDH1A1
SCHEMBL650201 0.90 C5AR1 (0.41) CRHR1PPARGPPARAC5AR1TSHR
SCHEMBL652364 0.90 C5AR1 (0.41) CRHR1PPARGPPARAC5AR1TSHR
SCHEMBL648163 0.90 C5AR1 (0.41) CRHR1PPARGPPARAC5AR1TSHR
SCHEMBL649935 0.90 C5AR1 (0.41) CRHR1PPARGPPARAC5AR1TSHR
SCHEMBL649597 0.89 CRHR1 (0.36) CRHR1C5AR1TSHRKDM4EALDH1A1

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