SCHEMBL6258549

SCHEMBL6258549

CCOC(=O)CNCCCC(Oc1ccc(C(F)(F)c2ccc(C)cc2)cc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
LMNA P02545 4/20 0.47
NPC1 O15118 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C19 P33261 2/20 0.47
MTOR P42345 2/20 0.47
RAB9A P51151 2/20 0.47
CYP3A4 P08684 2/20 0.47
SLC6A2 P23975 2/20 0.47
HTR2C P28335 2/20 0.47
SLC6A4 P31645 2/20 0.47
SLC6A3 Q01959 2/20 0.47
KDM4E B2RXH2 1/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
NFKB1 P19838 1/20 0.47

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
SCHEMBL6257279 0.90 SLC6A9 (0.50) MEN1KMT2ALMNANPC1CYP2D6
SCHEMBL6254431 0.84 SLC7A5 (0.51) MEN1KMT2ALMNANPC1CYP2D6
SCHEMBL6259766 0.82 SLC6A4 (0.50) MEN1KMT2ALMNANPC1CYP2D6
SCHEMBL6749875 0.82 SLC6A9 (0.50) MEN1KMT2ALMNANPC1CYP2D6
SCHEMBL6259263 0.81 SLC6A9 (0.49) MEN1KMT2ALMNANPC1CYP2D6
SCHEMBL6257821 0.80 SLC6A9 (0.45) MEN1KMT2ALMNANPC1CYP2D6
SCHEMBL6258432 0.80 SLC6A4 (0.50) MEN1KMT2ALMNANPC1CYP2D6
SCHEMBL6258546 0.80 SLC6A9 (0.66) CYP2D6CYP2C19SLC6A4CYP2C9HRH3
SCHEMBL6755047 0.78 SLC6A4 (0.50) MEN1KMT2ALMNANPC1CYP2D6
SCHEMBL6260298 0.78 SLC7A5 (0.47) MEN1KMT2ALMNANPC1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1284257-B1 Difluoromethylene aromatic ethers and their use as inhibitors of the glycine type-1 transporter PFIZER PROD INC (US) 2005-10-05 EP disclosed
EP-1284257-A2 Difluoromethylene aromatic ethers and their use as inhibitors of the glycine type-1 transporter Pfizer Products Inc. (US) 2003-02-19 EP disclosed