SCHEMBL5160186

SCHEMBL5160186

O=C(NC12CC3CC(CC(C3)C1)C2)C1COCCN1OC(=O)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 13/20 0.42
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
EPHX1 P07099 3/20 0.38
TSHR P16473 2/20 0.37
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
CNR2 P34972 1/20 0.34

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
SCHEMBL5154842 1.00 EPHX2 (0.42) EPHX2MEN1KMT2AEPHX1TSHR
SCHEMBL6337635 0.82 TSHR (0.49) EPHX2MEN1KMT2AEPHX1TSHR
SCHEMBL28239603 0.77 MAOB (0.33)
SCHEMBL3916424 0.75 EPHX2 (0.45) EPHX2MEN1KMT2AEPHX1TSHR
SCHEMBL5157490 0.72 EPHX2 (0.53) EPHX2MEN1KMT2ATSHR
SCHEMBL5161048 0.72 EPHX2 (0.47) EPHX2MEN1KMT2AEPHX1TSHR
SCHEMBL2498573 0.71 PIK3C3 (0.32)
Hydrochloric Acid SCHEMBL5157992 0.71 KMT2A (0.48) EPHX2MEN1KMT2AEPHX1TSHR
SCHEMBL3918340 0.64 EPHX2 (0.67) EPHX2MEN1KMT2AEPHX1ALDH1A1
SCHEMBL7353899 0.62 EPHX2 (0.59) EPHX2MEN1KMT2AEPHX1ALDH1A1

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-1745019-A1 NOVEL COMPOUNDS OF PROLINE AND MORPHOLINE DERIVATIVES PFIZER INC. (US) 2007-01-24 EP disclosed
WO-2005108359-A1 NOVEL COMPOUNDS OF PROLINE AND MORPHOLINE DERIVATIVES PFIZER INC. (US) 2005-11-17 WO disclosed