SCHEMBL649597

SCHEMBL649597

CCCCn1c(-c2ccccc2)nc(C(F)(F)F)c1CN(Cc1ccc(OC(F)F)cc1)Cc1ccc(SC)cc1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 10/20 0.36
C5AR1 P21730 1/20 0.35
TSHR P16473 2/20 0.34
MMP13 P45452 1/20 0.33
ALDH1A1 P00352 2/20 0.32
HTT P42858 1/20 0.32
LMNA P02545 1/20 0.32
NR1H3 Q13133 1/20 0.31
DAGLA Q9Y4D2 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL649785 0.94 CRHR1 (0.40) CRHR1C5AR1TSHRMMP13ALDH1A1
SCHEMBL648460 0.93 CRHR1 (0.41) CRHR1C5AR1TSHRMMP13ALDH1A1
SCHEMBL652438 0.91 CRHR1 (0.40) CRHR1C5AR1TSHRALDH1A1LMNA
SCHEMBL5134742 0.90 CRHR1 (0.37) CRHR1C5AR1TSHRMMP13ALDH1A1
SCHEMBL649800 0.90 CRHR1 (0.46) CRHR1C5AR1TSHRLMNA
SCHEMBL649781 0.89 CRHR1 (0.43) CRHR1C5AR1TSHRALDH1A1LMNA
SCHEMBL651130 0.88 CRHR1 (0.33) CRHR1MMP13ALDH1A1LMNADAGLA
SCHEMBL649711 0.88 CRHR1 (0.39) CRHR1C5AR1TSHRALDH1A1HTT
SCHEMBL648626 0.88 PIN1 (0.38) CRHR1ALDH1A1HTTDAGLAKDM4E
SCHEMBL1913047 0.87 ALDH1A1 (0.36) CRHR1C5AR1TSHRALDH1A1HTT

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