SCHEMBL7106986

SCHEMBL7106986

CCOC(=O)CCCNc1c(Cl)cc(CCO)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.50
CYP4A11 Q02928 2/20 0.50
TOP2A P11388 3/20 0.48
KDM4E B2RXH2 2/20 0.42
MAPT P10636 1/20 0.42
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C19 P33261 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
PDE5A O76074 1/20 0.38
ELANE P08246 1/20 0.38
CYP4Z1 Q86W10 2/20 0.38
CYP4F11 Q9HBI6 1/20 0.38
CYP4F12 Q9HCS2 1/20 0.38
LTA4H P09960 1/20 0.37
TSHR P16473 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL7103146 0.89 TOP2A (0.47) CYP4F2CYP4A11TOP2AKDM4EMAPT
SCHEMBL7107961 0.84 CYP4F2 (0.48) CYP4F2CYP4A11KDM4EMAPTSMN1; SMN2
SCHEMBL7106134 0.77 CYP4F2 (0.66) CYP4F2CYP4A11TOP2AKDM4EMAPT
SCHEMBL9829293 0.76 ABCB1 (0.51) TOP2AKDM4EMAPTHPGD
SCHEMBL8072976 0.76 ADRB3 (0.65) CYP2D6
SCHEMBL7103561 0.72 L3MBTL1 (0.43) CYP4F2CYP4A11KDM4EMAPTSMN1; SMN2
SCHEMBL4592870 0.71 CYP4A11 (0.56) CYP4F2CYP4A11TOP2AKDM4EMAPT
SCHEMBL21533507 0.71 TOP2A (0.47) TOP2AKDM4EMAPTCYP1A2CYP3A4
SCHEMBL11311241 0.71 TOP2A (0.63) CYP4F2CYP4A11TOP2AKDM4EMAPT
SCHEMBL21645063 0.70 TOP2A (0.52) TOP2AKDM4EMAPTCYP1A2CYP3A4

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