SCHEMBL6679166

SCHEMBL6679166

Cc1cc(-c2ccccc2)c(C(=O)Nc2ccc(CNC(=O)c3ccccn3)cc2)cc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 5/20 0.48
PPARG P37231 1/20 0.47
KDR P35968 1/20 0.46
S1PR1 P21453 5/20 0.46
S1PR3 Q99500 2/20 0.46
TACR1 P25103 1/20 0.44
KMT2A Q03164 1/20 0.43
BRAF P15056 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GCGR P47871 1/20 0.42
KCNH2 Q12809 1/20 0.42
GRIN2B Q13224 1/20 0.42
TRPV1 Q8NER1 1/20 0.42

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
SCHEMBL6682828 0.84 S1PR1 (0.46) S1PR1S1PR3TRPV1
SCHEMBL6492242 0.81 GCGR (0.49) GRM4KDRGCGRTRPV1
SCHEMBL6799242 0.81 CHRNB2 (0.59) GRM4KDRKMT2ANPC1RAB9A
SCHEMBL6685612 0.80 S1PR1 (0.46) S1PR1S1PR3KMT2ANPC1RAB9A
SCHEMBL6796384 0.79 SMO (0.55) GRM4KDRTRPV1
SCHEMBL6681703 0.78 S1PR1 (0.44) KDRS1PR1S1PR3
SCHEMBL6683660 0.77 S1PR1 (0.48) S1PR1S1PR3
SCHEMBL6793810 0.77 KDR (0.52) GRM4KDRKMT2ANPC1RAB9A
SCHEMBL6677363 0.77 NPC1 (0.48) S1PR1S1PR3KMT2ANPC1RAB9A
SCHEMBL6683684 0.74 HTR2A (0.47) KDRS1PR1S1PR3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1472226-A1 HETEROCYCLIC AMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-11-03 EP disclosed
WO-2003045921-A1 HETEROCYCLIC AMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-06-05 WO disclosed