SCHEMBL651072

SCHEMBL651072

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

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 3/20 0.43
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAOB P27338 1/20 0.39
UBE2M P61081 4/20 0.39
DCUN1D1 Q96GG9 4/20 0.39
CRHR1 P34998 3/20 0.39
JAK2 O60674 2/20 0.38
JAK1 P23458 2/20 0.38
TYK2 P29597 2/20 0.38
JAK3 P52333 2/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
C5AR1 P21730 1/20 0.37
TRPV4 Q9HBA0 1/20 0.37
NR1H4 Q96RI1 1/20 0.37

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
SCHEMBL650510 0.94 PIN1 (0.41) MEN1KMT2AUBE2MDCUN1D1CRHR1
SCHEMBL649253 0.89 SQLE (0.38) CRHR1JAK2JAK1TYK2JAK3
SCHEMBL651093 0.89 CRHR1 (0.37) CRHR1JAK2JAK1TYK2JAK3
SCHEMBL649162 0.88 CRHR1 (0.46) CRHR1JAK2JAK1TYK2JAK3
SCHEMBL651143 0.87 CRHR1 (0.37) CRHR1JAK2JAK1TYK2JAK3
SCHEMBL648691 0.86 RORC (0.41) CRHR1JAK2JAK1TYK2JAK3
SCHEMBL648929 0.86 C5AR1 (0.55) MEN1KMT2AUBE2MDCUN1D1C5AR1
SCHEMBL651157 0.85 JAK2 (0.36) CRHR1JAK2JAK1TYK2JAK3
SCHEMBL649676 0.85 CRHR1 (0.41) KMT2ACRHR1JAK2JAK1TYK2
SCHEMBL650398 0.84 CRHR1 (0.48) 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