SCHEMBL651130

SCHEMBL651130

CCCCn1c(-c2ccccc2OC)nc(C(F)(F)F)c1CN(Cc1ccc(OC(F)F)cc1)Cc1ccc(SC)cc1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 5/20 0.33
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HSD17B10 Q99714 1/20 0.32
HTR1A P08908 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
KMT2A Q03164 2/20 0.31
CNR2 P34972 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
CSF1R P07333 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MMP13 P45452 1/20 0.31
DAGLA Q9Y4D2 1/20 0.30

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
SCHEMBL649597 0.88 CRHR1 (0.36) CRHR1KDM4EALDH1A1HSD17B10LMNA
SCHEMBL1913040 0.86 C5AR1 (0.43) ALDH1A1HTR2CHTR2BLMNA
SCHEMBL14572862 0.84 DRD2 (0.34) CRHR1KDM4EALDH1A1HTR1AHTR2C
SCHEMBL648019 0.84 C5AR1 (0.44) ALDH1A1HTR2CHTR2BLMNA
SCHEMBL649785 0.82 CRHR1 (0.40) CRHR1KDM4EALDH1A1HSD17B10LMNA
SCHEMBL648460 0.81 CRHR1 (0.41) CRHR1ALDH1A1LMNAMMP13
SCHEMBL649943 0.80 C5AR1 (0.38) CRHR1ALDH1A1KMT2AMEN1CSF1R
SCHEMBL651675 0.80 HTR2A (0.42) ALDH1A1HTR2CHTR2BLMNA
SCHEMBL652438 0.79 CRHR1 (0.40) CRHR1KDM4EALDH1A1HSD17B10LMNA
SCHEMBL5134742 0.79 CRHR1 (0.37) CRHR1KDM4EALDH1A1HSD17B10LMNA

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