SCHEMBL7780914

SCHEMBL7780914

O=C(N[C@@H](CO)Cc1ccccc1C(=O)NN1CCN(c2ccccc2)CC1)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSL P07711 8/20 0.44
CTSK P43235 8/20 0.44
CTSB P07858 6/20 0.44
CTRB1 P17538 2/20 0.43
POLB P06746 2/20 0.42
GFER P55789 2/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPK1 P28482 1/20 0.42
MAPT P10636 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CAPN1 P07384 1/20 0.41
CTSS P25774 1/20 0.41
TP53 P04637 1/20 0.41
GRM5 P41594 1/20 0.40
TACR1 P25103 1/20 0.40

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 0.90 CTRB1 (0.46) CTSLCTSKCTSBCTRB1POLB
SCHEMBL7775449 0.90 LIPE (0.47) CTSLCTSKCTSBCTRB1LMNA
SCHEMBL7775756 0.89 CTRB1 (0.46) CTSLCTSKCTSBCTRB1POLB
SCHEMBL7775452 0.80 CTRB1 (0.52) CTSLCTSKCTSBCTRB1LMNA
SCHEMBL7782326 0.80 CTRB1 (0.52) CTSKCTRB1SMN1; SMN2MAPK1TACR1
SCHEMBL9082227 0.78 CAPN1 (0.43) POLBGFERLMNASMN1; SMN2MAPT
SCHEMBL7455452 0.77 CTRB1 (0.54) CTSLCTSKCTSBCTRB1SMN1; SMN2
SCHEMBL7455442 0.77 CTRB1 (0.54) CTSLCTSKCTSBCTRB1SMN1; SMN2
SCHEMBL7780900 0.77 CTRB1 (0.54) CTSLCTSKCTSBCTRB1SMN1; SMN2
SCHEMBL7782474 0.76 SGMS2 (0.54) CTRB1LMNASMN1; SMN2MAPT

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-0815074-B1 O-CARBAMOYL-(D)-PHENYLALANILOL COMPOUNDS AND PROCESS FOR PREPARING THE SAME SK CORP (KR) 2001-10-04 EP disclosed
WO-1996024577-A1 O-CARBAMOYL-(D)-PHENYLALANILOL COMPOUNDS AND PROCESS FOR PREPARING THE SAME YUKONG LIMITED (KR) 1996-08-15 WO disclosed