SCHEMBL7302504

SCHEMBL7302504

N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)OCc1cncnc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 2/20 0.52
CYP3A4 P08684 6/20 0.51
TACR1 P25103 3/20 0.42
CTSL P07711 3/20 0.42
CTSB P07858 2/20 0.42
CTSK P43235 2/20 0.42
CTSS P25774 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.41
LTA4H P09960 1/20 0.41
LAP3 P28838 1/20 0.41
F2 P00734 1/20 0.41
PLAU P00749 1/20 0.41
PLAT P00750 1/20 0.41

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
SCHEMBL8138746 1.00 CTRB1 (0.52) CTRB1CYP3A4TACR1CTSLCTSB
SCHEMBL8853637 0.90 CYP3A4 (0.63) CTRB1CYP3A4CTSLCTSB
SCHEMBL7309108 0.90 CYP3A4 (0.63) CTRB1CYP3A4CTSLCTSB
SCHEMBL4683833 0.90 CYP3A4 (0.63) CTRB1CYP3A4CTSLCTSB
SCHEMBL7298831 0.90 CTRB1 (0.53) CTRB1CYP3A4TACR1CTSLCTSB
SCHEMBL9004985 0.88 CYP3A4 (0.60) CTRB1CYP3A4CTSLCTSB
SCHEMBL7096184 0.84 CYP3A4 (0.57) CTRB1CYP3A4TACR1
SCHEMBL7412159 0.84 CYP3A4 (0.57) CTRB1CYP3A4TACR1
SCHEMBL7301058 0.83 CTSB (0.48) CTRB1CYP3A4TACR1CTSLCTSB
SCHEMBL4677833 0.83 CYP3A4 (0.61) CYP3A4TACR1

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6255326-B1 ANTIINFLAMMATORY AGENT; AUTOIMMUNE DISEASES AVENTIS PHARMA LIMITED (GB) 2001-07-03 US claimed
EP-0497564-B1 Benzamides RHONE POULENC RORER LTD (GB) 1995-12-27 EP claimed
US-6255326-B1 ANTIINFLAMMATORY AGENT; AUTOIMMUNE DISEASES AVENTIS PHARMA LIMITED (GB) 2001-07-03 US disclosed
EP-0486948-B1 Retroviral protease inhibiting compounds ABBOTT LAB (US) 2000-10-04 EP disclosed
US-6096768-A ADMINISTERING A 3, 5, 6-SUBSTITUTED PHENYL COMPOUND FOR THE TREATMENT OF INFLAMMATION AND AUTOIMMUNE DISORDERS RHONE-POULENC RORER LIMITED (GB) 2000-08-01 US disclosed
EP-0997459-A1 Intermediates for preparing retroviral protease inhibiting compounds Abbott Laboratories (US) 2000-05-03 EP disclosed
US-5935978-A Compounds containing phenyl linked to aryl or heteroaryl by an aliphatic- or heteroatom-containing linking group RHONE-POULENC RORER LIMITED (GB) 1999-08-10 US disclosed
US-5840724-A COMPOUNDS FOR TUMOR NECROSIS FACTOR OR ENZYME INHIBITORS OF PHOSPHODIESTERASES RHONE-POULENC RORER LIMITED (GB) 1998-11-24 US disclosed
US-5837873-A PROTECTED OXYDIAMINES ABBOTT LABORATORIES (US) 1998-11-17 US disclosed
EP-0741707-B1 SUBSTITUTED AROMATIC COMPOUNDS AS c.AMP PHOSPHODIESTERASE- AND TNF-INHIBITORS RHONE POULENC RORER LTD (GB) 1998-04-01 EP disclosed
US-5698711-A INHIBITORS OF TUMOR NECROSIS FACTOR, CYCLIC ADENOSINE-3*,5*-MONOPHOSPHATE PHOSPHODIESTERASE AND EOSINOPHILS RHONE-POULENC RORER LIMITED (GB) 1997-12-16 US disclosed
US-5541334-A TREATING HIV ABBOTT LABORATORIES (US) 1996-07-30 US disclosed
EP-0497564-B1 Benzamides RHONE POULENC RORER LTD (GB) 1995-12-27 EP disclosed
EP-0669311-A1 Benzamides RHONE POULENC RORER LIMITED (GB) 1995-08-30 EP disclosed
WO-1995020578-A1 SUBSTITUTED AROMATIC COMPOUNDS AS c.AMP PHOSPHODIESTERASE- AND TNF-INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1995-08-03 WO disclosed
EP-0652868-A1 INHIBITORS OF c-AMP PHOSPHODIESTERASE AND TNF RHONE-POULENC RORER LIMITED (GB) 1995-05-17 EP disclosed
US-5354866-A Treating HIV infections ABBOTT LABORATORIES (US) 1994-10-11 US disclosed
WO-1994002465-A1 INHIBITORS OF c-AMP PHOSPHODIESTERASE AND TNF RHONE-POULENC RORER LIMITED (GB) 1994-02-03 WO disclosed
EP-0497564-A1 Benzamides RHONE POULENC RORER LIMITED (GB) 1992-08-05 EP disclosed
EP-0486948-A2 Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1992-05-27 EP disclosed