SCHEMBL7825178

SCHEMBL7825178

O=C(O)C1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.66
KMT2A Q03164 3/20 0.61
POLB P06746 2/20 0.61
GRK2 P25098 1/20 0.61
CTDSP1 Q9GZU7 1/20 0.61
RECQL P46063 1/20 0.58
CA12 O43570 3/20 0.57
CA1 P00915 3/20 0.57
CA2 P00918 3/20 0.57
CA4 P22748 3/20 0.57
CA7 P43166 3/20 0.57
CA9 Q16790 3/20 0.57
CA14 Q9ULX7 3/20 0.57
CA5B Q9Y2D0 3/20 0.57
CA6 P23280 2/20 0.57
MEN1 O00255 2/20 0.56
LMNA P02545 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
GLA P06280 1/20 0.56
HPGD P15428 2/20 0.56

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
SCHEMBL12959507 0.87 POLB (0.68) TSHRKMT2APOLBGRK2CTDSP1
SCHEMBL30625999 0.87 POLB (0.68) TSHRKMT2APOLBGRK2CTDSP1
SCHEMBL26603110 0.87 TSHR (0.78) TSHRKMT2APOLBGRK2CTDSP1
SCHEMBL30626009 0.87 TSHR (0.78) TSHRKMT2APOLBGRK2CTDSP1
SCHEMBL26603140 0.87 POLB (0.72) TSHRKMT2APOLBGRK2CTDSP1
SCHEMBL1534159 0.85 TSHR (0.59) TSHRKMT2APOLBGRK2CTDSP1
SCHEMBL20676025 0.84 CA12 (0.74) TSHRKMT2APOLBGRK2CTDSP1
SCHEMBL11748147 0.84 NOTUM (0.61) TSHRKMT2APOLBGRK2CTDSP1
SCHEMBL1534237 0.84 TSHR (0.57) TSHRKMT2APOLBGRK2CTDSP1
SCHEMBL6270933 0.83 CA1 (0.60) KMT2APOLBCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed
US-4013445-A 1-(Bis-trifluoromethylphenyl)-2-oxo-pyrrolidine-4-carboxylic acid derivatives, their production and their use as plant-growth regulators and herbicides CIBA-GEIGY CORPORATION (US) 1977-03-22 US disclosed