SCHEMBL5758709

SCHEMBL5758709

O=C1C(F)CCCN1Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.51
KMT2A Q03164 2/20 0.50
PER2 O15055 1/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.49
DDB1 Q16531 1/20 0.44
CRBN Q96SW2 1/20 0.44
ACHE P22303 1/20 0.44
CYP2D6 P10635 2/20 0.43
CYP2C19 P33261 2/20 0.43
POLB P06746 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL6732065 0.83 HSD11B1 (0.55) L3MBTL1KMT2AMEN1ALDH1A1DDB1
SCHEMBL6202280 0.81 L3MBTL1 (0.51) L3MBTL1KMT2AMEN1ALDH1A1DDB1
SCHEMBL5509197 0.81 L3MBTL1 (0.51) L3MBTL1KMT2APER2MEN1ALDH1A1
SCHEMBL16874753 0.81 L3MBTL1 (0.51) L3MBTL1KMT2AMEN1ALDH1A1DDB1
SCHEMBL24200353 0.79 CHRM2 (0.52) L3MBTL1KMT2APER2MEN1ALDH1A1
SCHEMBL17138501 0.79 CHRM2 (0.52) L3MBTL1KMT2APER2MEN1ALDH1A1
SCHEMBL17138592 0.78 ALDH1A1 (0.58) L3MBTL1KMT2APER2MEN1ALDH1A1
SCHEMBL16543692 0.78 L3MBTL1 (0.49) L3MBTL1KMT2APER2MEN1ALDH1A1
SCHEMBL7442356 0.78 L3MBTL1 (0.49) L3MBTL1KMT2APER2MEN1ALDH1A1
SCHEMBL5369178 0.78 L3MBTL1 (0.49) L3MBTL1KMT2AMEN1ALDH1A1CYP2D6

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-1485351-A4 PROCESS FOR THE MANUFACTURE OF OPTICALLY ACTIVE 3-SUBSTITUTED LACTAMS BY ASYMMETRIC HYDROGENATION OF 3-ALKYLIDENELACTAMS BRISTOL MYERS SQUIBB CO (US) 2006-05-03 EP disclosed
EP-1485351-A2 PROCESS FOR THE MANUFACTURE OF OPTICALLY ACTIVE 3-SUBSTITUTED LACTAMS BY ASYMMETRIC HYDROGENATION OF 3-ALKYLIDENELACTAMS Bristol-Myers Squibb Company (US) 2004-12-15 EP disclosed
WO-2003079975-A2 PROCESS FOR THE MANUFACTURE OF OPTICALLY ACTIVE 3-SUBSTITUTED LACTAMS BY ASYMMETRIC HYDROGENATION OF 3-ALKYLIDENELACTAMS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-10-02 WO disclosed