SCHEMBL7558694

SCHEMBL7558694

O=C1CCN1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.59
MAPT P10636 4/20 0.57
SMN1; SMN2 Q16637 2/20 0.56
NPSR1 Q6W5P4 1/20 0.56
LMNA P02545 4/20 0.55
HTT P42858 1/20 0.55
PDK1 Q15118 1/20 0.54
CASP3 P42574 1/20 0.53
GAA P10253 2/20 0.52
SLC6A3 Q01959 1/20 0.52
GRIN2B Q13224 2/20 0.51
ALDH1A1 P00352 1/20 0.50
RAB9A P51151 1/20 0.50
USP30 Q70CQ3 1/20 0.50
KMT2A Q03164 1/20 0.50
EPHX2 P34913 1/20 0.49
TSHR P16473 1/20 0.49
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
TP53 P04637 1/20 0.49

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
SCHEMBL10220710 0.78 MEN1 (0.60) KDRMAPTSMN1; SMN2NPSR1LMNA
SCHEMBL7552286 0.77 ALDH1A1 (0.56) MAPTSMN1; SMN2LMNAALDH1A1KMT2A
SCHEMBL118026 0.76 KDR (1.00) KDRPDK1GRM4
SCHEMBL29364392 0.76 KDR (1.00) KDRPDK1GRM4
SCHEMBL25574412 0.75 KMT2A (0.65) MAPTSMN1; SMN2CASP3GAAGRIN2B
SCHEMBL2329430 0.74 KDR (0.78) KDRMAPTSMN1; SMN2NPSR1LMNA
SCHEMBL9835641 0.74 KDR (0.78) KDRMAPTSMN1; SMN2NPSR1LMNA
SCHEMBL10885507 0.74 KDR (0.78) KDRMAPTSMN1; SMN2NPSR1LMNA
SCHEMBL7556321 0.74 MAPT (0.63) MAPTSMN1; SMN2NPSR1LMNAHTT
SCHEMBL25574313 0.73 MEN1 (0.56) KDRMAPTSMN1; SMN2NPSR1LMNA

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
WO-2002055661-A2 FATTY ACID SYNTHASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2002-07-18 WO claimed
WO-2002055661-A2 FATTY ACID SYNTHASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2002-07-18 WO disclosed