SCHEMBL7485407

SCHEMBL7485407

COc1cc(F)c(F)cc1OCCN

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 9/20 0.53
HTR2C P28335 3/20 0.45
HTR2B P41595 3/20 0.45
KDM4E B2RXH2 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
RET P07949 1/20 0.41
ATM Q13315 1/20 0.41
PRSS1 P07477 1/20 0.39

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
SCHEMBL17848345 0.82 EGFR (0.44) HTR2AHTR2CHTR2BTDP1L3MBTL1
SCHEMBL7478500 0.82 HTR2A (0.44) HTR2AHTR2CHTR2BTDP1L3MBTL1
SCHEMBL7486685 0.81 TDP1 (0.50) HTR2AKDM4ETDP1L3MBTL1ATM
SCHEMBL7478080 0.81 KDM4E (0.52) HTR2AKDM4ETDP1L3MBTL1ATM
SCHEMBL3799717 0.80 CYP3A4 (0.61) HTR2AHTR2CHTR2BKDM4EATM
SCHEMBL1332634 0.79 CYP3A4 (0.48) HTR2AHTR2CHTR2BKDM4ETDP1
SCHEMBL16173474 0.76 HTR2A (0.46) HTR2ATDP1L3MBTL1RET
SCHEMBL25517569 0.75 L3MBTL1 (0.65) KDM4ETDP1L3MBTL1
SCHEMBL19461974 0.74 HTR2A (0.45) HTR2ATDP1L3MBTL1PRSS1
SCHEMBL12372067 0.73 HTR2A (0.47) HTR2AHTR2CHTR2BKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1068184-B1 N-ARYLOXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF DEPRESSION WYETH CORP (US) 2002-09-04 EP disclosed
EP-1068184-A1 N-ARYLOXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF DEPRESSION AMERICAN HOME PRODUCTS CORPORATION (US) 2001-01-17 EP disclosed
US-6110956-A ANTIDEPRESSANTS TREATING DISORDERS OF THE SEROTONIN-AFFECTED NEUROLOGICAL SYSTEMS AMERICAN HOME PRODUCTS CORP. (US) 2000-08-29 US disclosed
WO-1999051576-A1 N-ARYLOXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF DEPRESSION AMERICAN HOME PRODUCTS CORPORATION (US) 1999-10-14 WO disclosed