SCHEMBL7775756

SCHEMBL7775756

O=C(N[C@@H](CO)Cc1ccccc1C(=O)NN1CCCCC1)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 2/20 0.46
CTSL P07711 8/20 0.42
CTSK P43235 8/20 0.42
CTSB P07858 7/20 0.42
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
HTT P42858 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
OPRK1 P41145 3/20 0.40
CNR1 P21554 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 0.99 CTRB1 (0.46) CTRB1CTSLCTSKCTSBLMNA
SCHEMBL7775449 0.90 LIPE (0.47) CTRB1CTSLCTSKCTSBLMNA
SCHEMBL7780914 0.89 CTSL (0.44) CTRB1CTSLCTSKCTSBLMNA
SCHEMBL7782326 0.84 CTRB1 (0.52) CTRB1CTSKCYP1A2CYP3A4CYP2D6
SCHEMBL7782474 0.82 SGMS2 (0.54) CTRB1LMNACYP3A4SMN1; SMN2ALDH1A1
SCHEMBL7775452 0.82 CTRB1 (0.52) CTRB1CTSLCTSKCTSBLMNA
SCHEMBL7780900 0.80 CTRB1 (0.54) CTRB1CTSLCTSKCTSBCYP1A2
SCHEMBL7455452 0.80 CTRB1 (0.54) CTRB1CTSLCTSKCTSBCYP1A2
SCHEMBL7455442 0.80 CTRB1 (0.54) CTRB1CTSLCTSKCTSBCYP1A2
SCHEMBL8717314 0.78 CTRB1 (0.52) CTRB1CTSLCTSKCTSBLMNA

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