SCHEMBL648460

SCHEMBL648460

CCCCn1c(-c2ccccc2)nc(C(F)(F)F)c1CN(Cc1ccccc1)Cc1ccc(OC(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 11/20 0.41
C5AR1 P21730 1/20 0.38
TSHR P16473 2/20 0.37
MMP13 P45452 1/20 0.37
LMNA P02545 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
NR1H3 Q13133 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
SCHEMBL649785 0.99 CRHR1 (0.40) CRHR1C5AR1TSHRMMP13LMNA
SCHEMBL652438 0.95 CRHR1 (0.40) CRHR1C5AR1TSHRLMNAALDH1A1
SCHEMBL5134742 0.95 CRHR1 (0.37) CRHR1C5AR1TSHRMMP13LMNA
SCHEMBL649800 0.95 CRHR1 (0.46) CRHR1C5AR1TSHRLMNA
SCHEMBL649781 0.94 CRHR1 (0.43) CRHR1C5AR1TSHRLMNAALDH1A1
SCHEMBL649597 0.93 CRHR1 (0.36) CRHR1C5AR1TSHRMMP13LMNA
SCHEMBL649711 0.93 CRHR1 (0.39) CRHR1C5AR1TSHRALDH1A1HTT
SCHEMBL648626 0.93 PIN1 (0.38) CRHR1ALDH1A1HTT
SCHEMBL650193 0.92 CRHR1 (0.40) CRHR1C5AR1
SCHEMBL647849 0.92 CRHR1 (0.38) CRHR1C5AR1MMP13ALDH1A1HTT

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