SCHEMBL7555562

SCHEMBL7555562

O=C1CCN1C(=O)Nc1cc(Cl)ccc1Cl

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.62
ITGB1 P05556 1/20 0.54
ITGA4 P13612 1/20 0.54
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
POLB P06746 2/20 0.51
TRPV1 Q8NER1 1/20 0.46
EPHX1 P07099 1/20 0.44
CYP2C19 P33261 1/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
TAS1R2 Q8TE23 1/20 0.43

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
SCHEMBL7552286 0.82 ALDH1A1 (0.56) MAPTITGB1ITGA4KMT2AMEN1
SCHEMBL7554535 0.82 ITGB1 (0.68) MAPTITGB1ITGA4KMT2APOLB
SCHEMBL7556321 0.77 MAPT (0.63) MAPTITGB1ITGA4KMT2AMEN1
SCHEMBL7554369 0.74 ITGB1 (0.66) MAPTITGB1ITGA4POLBTRPV1
Hydrochloric Acid SCHEMBL10839707 0.74 MAPT (0.56) MAPTKMT2AMEN1POLBTRPV1
SCHEMBL4865033 0.74 TP53 (0.59) MAPTKMT2AMEN1LMNA
SCHEMBL9616913 0.72 MAPT (0.54) MAPTKMT2AMEN1POLBEPHX1
SCHEMBL8297736 0.72 MAPT (0.74) MAPTKMT2AMEN1POLBTRPV1
SCHEMBL3752386 0.71 MAPT (0.72) MAPTKMT2AMEN1POLBTRPV1
SCHEMBL7553920 0.71 ITGB1 (0.58) MAPTITGB1ITGA4KMT2AMEN1

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