SCHEMBL7465743

SCHEMBL7465743

O=C(O)c1c(C(F)(F)F)[nH]c2c(O)cc3c(c12)[C@H](CCl)CN3C(=O)c1cc2c(cn1)[nH]c1ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 12/20 0.41
GABRG2 P18507 12/20 0.41
GABRB3 P28472 12/20 0.41
GABRA5 P31644 12/20 0.41
GABRA3 P34903 12/20 0.41
GABRA2 P47869 12/20 0.41
GABRA4 P48169 8/20 0.41
GABRA6 Q16445 8/20 0.41
GABRP O00591 6/20 0.41
GABRD O14764 6/20 0.41
GABRB1 P18505 6/20 0.41
GABRB2 P47870 6/20 0.41
GABRE P78334 6/20 0.41
GABRG1 Q8N1C3 6/20 0.41
GABRG3 Q99928 6/20 0.41
GABRQ Q9UN88 6/20 0.41
KMT2A Q03164 1/20 0.41
ADH1A P07327 1/20 0.38
KIT P10721 1/20 0.38
FLT1 P17948 1/20 0.38

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
SCHEMBL7466678 0.88 GABRA1 (0.34) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7460674 0.81 GABRA1 (0.37) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7467746 0.80 P4HB (0.33)
SCHEMBL7469597 0.77 PYGL (0.32) ADH1AKITFLT1FLT4KDR
SCHEMBL7470446 0.75 SYK (0.35) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7463771 0.75 GABRA1 (0.36) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7464585 0.75 P4HB (0.31)
SCHEMBL7461868 0.74 ABCB1 (0.32) KDM4ENPC1ALDH1A1
SCHEMBL6851179 0.74 ADH1A (0.35) ADH1AKITFLT1FLT4KDR
SCHEMBL7463040 0.73 ADH1A (0.33) ADH1AKITFLT1FLT4KDR

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-0656360-B1 TRIFLUOROMETHYLPYRROLOINDOLE CARBOXYLIC ESTER DERIVATIVE AND PROCESS FOR PRODUCING THE SAME KYORIN SEIYAKU KK (JP) 2002-11-20 EP disclosed
US-5629430-A ANTICARCINOGENIC AGENTS KYORIN PHARMACEUTICAL CO., LTD. (JP) 1997-05-13 US disclosed
EP-0656360-A1 TRIFLUOROMETHYLPYRROLOINDOLE CARBOXYLIC ESTER DERIVATIVE AND PROCESS FOR PRODUCING THE SAME KYORIN PHARMACEUTICAL CO., LTD. (JP) 1995-06-07 EP disclosed