SCHEMBL9011301

SCHEMBL9011301

CCOC(=O)C(CC(C)C)NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)CN(C(=O)OC(C)(C)C)C(=O)C(N)Cc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.46
PTPN1 P18031 1/20 0.45
OPRD1 P41143 5/20 0.44
OPRM1 P35372 4/20 0.44
IL1RN P18510 1/20 0.44
ERAP2 Q6P179 1/20 0.44
ERAP1 Q9NZ08 1/20 0.44
PSMB1 P20618 4/20 0.44
PSMB9 P28065 3/20 0.44
PSMB5 P28074 3/20 0.44
PSMB10 P40306 3/20 0.44
PSMB2 P49721 3/20 0.44
PSMB8 P28062 2/20 0.44
YAP1 P46937 1/20 0.44
OPRK1 P41145 2/20 0.43

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
SCHEMBL11108119 0.90 REN (0.46) RENPTPN1OPRD1OPRM1IL1RN
SCHEMBL9011324 0.85 OPRD1 (0.59) PTPN1OPRD1OPRM1IL1RNERAP2
SCHEMBL9011304 0.84 REN (0.58) RENPTPN1PSMB1PSMB9PSMB5
SCHEMBL9439872 0.82 ERAP2 (0.52) PTPN1OPRD1OPRM1IL1RNERAP2
SCHEMBL9439917 0.80 OPRD1 (0.52) PTPN1OPRD1OPRM1IL1RNERAP2
SCHEMBL30538832 0.77 REN (0.64) RENPTPN1PSMB1PSMB9PSMB5
SCHEMBL11525876 0.76 PSMB1 (0.50) RENOPRD1OPRM1PSMB1PSMB9
Hydrochloric Acid SCHEMBL30346038 0.76 OPRD1 (0.62) OPRD1OPRM1OPRK1
SCHEMBL21430307 0.75 REN (0.65) RENPTPN1PSMB1PSMB9PSMB5
SCHEMBL7344233 0.74 IL1RN (0.56) RENPTPN1IL1RNERAP2ERAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5525727-A ANALGESIC OR NARCOTIC ANTAGONIST UNIVERSITY OF FLORIDA (US) 1996-06-11 US disclosed
EP-0110955-B1 BRAIN-SPECIFIC DRUG DELIVERY UNIV FLORIDA (US) 1995-08-23 EP disclosed
US-5187158-A Sustained delivery of viricides UNIVERSITY OF FLORIDA (US) 1993-02-16 US disclosed
US-5008257-A Penicillin or cephalosporin antibiotics UNIVERSITY OF FLORIDA (US) 1991-04-16 US disclosed
US-4900837-A Brain-specific drug delivery of steroid sex hormones cleaved from pyridinium carboxylates and dihydro-pyridine carboxylate precursors UNIVERSITY OF FLORIDA (US) 1990-02-13 US disclosed
US-4880921-A Brain-specific drug delivery UNIVERSITY OF FLORIDA (US) 1989-11-14 US disclosed
US-4824850-A DIHYDROPYRIDINE-PYRIDINIUM SALT REDOX CARRIER UNIVERSITY OF FLORIDA (US) 1989-04-25 US disclosed
US-4540564-A DIHYDROPYRIDINE AND/OR PYRIDINIUM SALT REDOX CARRIER UNIVERSITY OF FLORIDA (US) 1985-09-10 US disclosed
EP-0110955-A1 BRAIN-SPECIFIC DRUG DELIVERY. UNIV FLORIDA (US) 1984-06-20 EP disclosed
WO-1983003968-A1 BRAIN-SPECIFIC DRUG DELIVERY UNIVERSITY OF FLORIDA (US) 1983-11-24 WO disclosed