SCHEMBL7775449

SCHEMBL7775449

O=C(N[C@@H](CO)Cc1ccccc1C(=O)NN1CCOCC1)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 1/20 0.47
CTRB1 P17538 2/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CTSK P43235 4/20 0.42
CTSL P07711 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
ALDH1A1 P00352 2/20 0.40
TSHR P16473 2/20 0.40
CTSB P07858 2/20 0.39
CTSS P25774 2/20 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
SCHEMBL7780890 0.91 CTRB1 (0.46) CTRB1CTSKCTSLSMN1; SMN2CYP1A2
SCHEMBL7775756 0.90 CTRB1 (0.46) CTRB1CTSKCTSLSMN1; SMN2CYP1A2
SCHEMBL7780914 0.90 CTSL (0.44) CTRB1CTSKCTSLSMN1; SMN2CTSB
SCHEMBL7775452 0.80 CTRB1 (0.52) CTRB1CTSKCTSLSMN1; SMN2CYP1A2
SCHEMBL7782326 0.80 CTRB1 (0.52) CTRB1CTSKSMN1; SMN2CYP1A2CYP3A4
SCHEMBL7455452 0.78 CTRB1 (0.54) CTRB1CTSKCTSLSMN1; SMN2CYP1A2
SCHEMBL7780900 0.78 CTRB1 (0.54) CTRB1CTSKCTSLSMN1; SMN2CYP1A2
SCHEMBL7455442 0.78 CTRB1 (0.54) CTRB1CTSKCTSLSMN1; SMN2CYP1A2
SCHEMBL7782474 0.77 SGMS2 (0.54) CTRB1MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL8717314 0.76 CTRB1 (0.52) CTRB1MEN1KMT2ACTSKCTSL

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-0815074-B1 O-CARBAMOYL-(D)-PHENYLALANILOL COMPOUNDS AND PROCESS FOR PREPARING THE SAME SK CORP (KR) 2001-10-04 EP disclosed
US-5756817-A TREATMENT OF DISEASES OF CENTRAL NERVOUS SYSTEMS YUKONG LIMITED (KR) 1998-05-26 US disclosed
US-5705640-A O-carbamoyl-(d)-phenylalaninol compounds, their pharmaceutically useful salts and process for preparing the same YUKONG LIMITED (KR) 1998-01-06 US disclosed
WO-1996024577-A1 O-CARBAMOYL-(D)-PHENYLALANILOL COMPOUNDS AND PROCESS FOR PREPARING THE SAME YUKONG LIMITED (KR) 1996-08-15 WO disclosed