SCHEMBL651093

SCHEMBL651093

CCCCn1c(-c2ccccc2)nc(C(F)(F)F)c1CN(Cc1ccc(C(N)=O)cc1)Cc1cccc(OC(F)F)c1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 5/20 0.37
MEP1B Q16820 1/20 0.36
JAK2 O60674 2/20 0.36
JAK1 P23458 2/20 0.36
TYK2 P29597 2/20 0.36
JAK3 P52333 2/20 0.36
C5AR1 P21730 1/20 0.35
SQLE Q14534 1/20 0.34
NR1H3 Q13133 2/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
MDM2 Q00987 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33

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
SCHEMBL651143 0.94 CRHR1 (0.37) CRHR1JAK2JAK1TYK2JAK3
SCHEMBL651001 0.94 CRHR1 (0.38) CRHR1MEP1BC5AR1TRPM8MDM2
SCHEMBL651157 0.94 JAK2 (0.36) CRHR1JAK2JAK1TYK2JAK3
SCHEMBL652145 0.92 TLR7 (0.38) CRHR1MEP1BC5AR1ALDH1A1HTT
SCHEMBL649253 0.92 SQLE (0.38) CRHR1JAK2JAK1TYK2JAK3
SCHEMBL5220455 0.90 AGTR1 (0.37) CRHR1MEP1BC5AR1ALDH1A1HTT
SCHEMBL651072 0.89 GPR52 (0.43) CRHR1JAK2JAK1TYK2JAK3
SCHEMBL652150 0.88 CRHR1 (0.38) CRHR1C5AR1TRPM8
SCHEMBL648626 0.88 PIN1 (0.38) CRHR1TRPM8ALDH1A1HTTMDM2
SCHEMBL650193 0.87 CRHR1 (0.40) CRHR1C5AR1

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 6 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
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