SCHEMBL4247453

SCHEMBL4247453

COC(=O)[C@@H]1CC(F)CN1Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.47
MAOB P27338 3/20 0.47
FKBP1A P62942 1/20 0.46
CYP3A4 P08684 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPT P10636 1/20 0.43
SLC6A4 P31645 1/20 0.42
LTA4H P09960 1/20 0.42

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
SCHEMBL28431385 1.00 MAOA (0.47) MAOAMAOBFKBP1ACYP3A4KDM4E
SCHEMBL16764868 1.00 MAOA (0.47) MAOAMAOBFKBP1ACYP3A4KDM4E
SCHEMBL4247443 1.00 MAOA (0.47) MAOAMAOBFKBP1ACYP3A4KDM4E
SCHEMBL23043717 0.88 FKBP1A (0.47) FKBP1ACYP3A4KDM4EALDH1A1KMT2A
SCHEMBL30064107 0.86 MEN1 (0.49) MAOAMAOBKDM4EALDH1A1KMT2A
SCHEMBL20745461 0.85 MAOA (0.51) MAOAMAOBMAPT
SCHEMBL20745387 0.85 MAOA (0.51) MAOAMAOBMAPT
SCHEMBL23243788 0.85 MAOA (0.51) MAOAMAOBMAPT
SCHEMBL14555989 0.85 MAOA (0.51) MAOAMAOBMAPT
SCHEMBL16764924 0.85 MAOA (0.51) MAOAMAOBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1903021-B1 PROCESS FOR PRODUCTION OF FLUOROCOMPOUNDS TOSOH F TECH INC (JP) 2015-09-30 EP disclosed
CN-101151232-B Process for production of fluorocompounds TOSOH F TECH INC 2011-07-13 CN disclosed
US-7615669-B2 Process for producing fluoro-compounds TOSOH F-TECH, INC. (JP) 2009-11-10 US disclosed
US-20090030228-A1 Process for producing fluoro-compounds TOSOH F-TECH, INC. (JP) 2009-01-29 US disclosed
EP-1903021-A1 PROCESS FOR PRODUCTION OF FLUOROCOMPOUNDS Tosoh F-Tech, Inc. (JP) 2008-03-26 EP disclosed
CN-101151232-A Process for production of fluorocompounds TOSOH F TECH INC (JP) 2008-03-26 CN disclosed