SCHEMBL8006586

SCHEMBL8006586

CN1CCOCC1.O=C(O)[C@@H](Cc1c[nH]c2ccccc12)NC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACE P12821 3/20 0.52
ALOX15 P16050 1/20 0.51
ITGB2 P05107 2/20 0.48
ICAM1 P05362 2/20 0.48
ITGAL P20701 2/20 0.48
TACR1 P25103 2/20 0.48
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
KDM4E B2RXH2 1/20 0.47
APAF1 O14727 1/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
RECQL P46063 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ECE1 P42892 3/20 0.47
AIMP2 Q13155 1/20 0.47

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
SCHEMBL7834723 0.87 ACE (0.62) ACEALOX15ITGB2ICAM1ITGAL
SCHEMBL8556329 0.87 ACE (0.62) ACEALOX15ITGB2ICAM1ITGAL
SCHEMBL6299882 0.87 ACE (0.62) ACEALOX15ITGB2ICAM1ITGAL
SCHEMBL6299885 0.87 ACE (0.62) ACEALOX15ITGB2ICAM1ITGAL
SCHEMBL8530746 0.87 ACE (0.62) ACEALOX15ITGB2ICAM1ITGAL
SCHEMBL8530732 0.87 ACE (0.62) ACEALOX15ITGB2ICAM1ITGAL
SCHEMBL8556324 0.87 ACE (0.62) ACEALOX15ITGB2ICAM1ITGAL
SCHEMBL8157574 0.85 ALOX15 (0.60) ACEALOX15ITGB2ICAM1ITGAL
SCHEMBL8157578 0.85 ALOX15 (0.60) ACEALOX15ITGB2ICAM1ITGAL
D-Tryptophan SCHEMBL8017564 0.81 KDM4E (0.71) ALOX15TACR1ALDH1A1GAAKDM4E

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0932406-A4 METHODS OF TREATING OR PREVENTING INTERSTITIAL CYSTITIS LILLY CO ELI (US) 2000-07-05 EP disclosed
US-6017930-A Methods of treating or preventing interstitial cystitis ELI LILLY AND COMPANY (US) 2000-01-25 US disclosed
US-6001837-A Methods of treating or preventing sleep apnea ELI LILLY AND COMPANY (US) 1999-12-14 US disclosed
EP-0932406-A1 METHODS OF TREATING OR PREVENTING INTERSTITIAL CYSTITIS ELI LILLY AND COMPANY (US) 1999-08-04 EP disclosed
US-5792760-A USEFUL IN TREATMENT OF PSYCHOLOGICAL AND CENTRAL NERVOUS SYSTEM DISORDERS ELI LILLY AND COMPANY (US) 1998-08-11 US disclosed
WO-1997033583-A1 METHODS OF TREATING OR PREVENTING INTERSTITIAL CYSTITIS ELI LILLY AND COMPANY (US) 1997-09-18 WO disclosed
WO-1997031633-A1 METHODS OF TREATING OR PREVENTING SLEEP APNEA ELI LILLY AND COMPANY (US) 1997-09-04 WO disclosed
WO-1997025988-A1 METHODS OF TREATING OR PREVENTING PAIN OR NOCICEPTION ELI LILLY AND COMPANY (US) 1997-07-24 WO disclosed
WO-1997023455-A1 PROCESSES FOR PREPARING NON-PEPTIDYL TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1997-07-03 WO disclosed
EP-0761219-A1 2-Acylaminopropanamines as growth hormone secretagogues ELI LILLY AND COMPANY (US) 1997-03-12 EP disclosed
WO-1997007117-A1 2-ACYLAMINOPROPANAMINES AS GROWTH HORMONE SECRETAGOGUES ELI LILLY AND COMPANY (US) 1997-02-27 WO disclosed