SCHEMBL7101982

SCHEMBL7101982

CCOC(=O)CN(C(=O)C(F)(F)F)c1ccc(CCO[C@@H]2CCCCO2)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.36
SCN5A Q14524 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4C Q9H3R0 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
P2RX3 P56373 2/20 0.33
OPRK1 P41145 2/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SLC6A3 Q01959 4/20 0.32
OPRM1 P35372 1/20 0.32
CHEK1 O14757 1/20 0.32
MGLL Q99685 1/20 0.32
CREBBP Q92793 1/20 0.32

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
SCHEMBL7101987 1.00 KCNA5 (0.36) KCNA5SCN5AMEN1KMT2AKDM4C
SCHEMBL8575515 0.81 MGLL (0.35) KCNA5SCN5AMEN1KMT2AKDM4C
SCHEMBL8573309 0.74 MGLL (0.37) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL8575590 0.72 MGLL (0.35) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL7106372 0.72 PDK1 (0.43) KCNA5SCN5AMEN1KMT2AKDM4C
SCHEMBL7106376 0.72 PDK1 (0.43) KCNA5SCN5AMEN1KMT2AKDM4C
SCHEMBL8577492 0.72 MEN1 (0.38) MEN1KMT2ANPC1RAB9AP2RX3
SCHEMBL8571517 0.71 MGLL (0.34) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL5458354 0.70 KDM4C (0.47) KCNA5SCN5AMEN1KMT2AKDM4C
SCHEMBL7281000 0.69 MGLL (0.40) MEN1KMT2AL3MBTL1NPC1RAB9A

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-1043308-B1 PHENYLAMINOALKYLCARBOXYLIC ACID DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME KISSEI PHARMACEUTICAL (JP) 2003-09-24 EP disclosed
US-6353025-B1 COMPOUNDS AS DRUGS KISSEI PHARMACEUTICAL CO., LTD. (JP) 2002-03-05 US disclosed
EP-1043308-A1 PHENYLAMINOALKYLCARBOXYLIC ACID DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME Kissei Pharmaceutical Co., Ltd. (JP) 2000-10-11 EP disclosed