SCHEMBL9011324

SCHEMBL9011324

CCOC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 12/20 0.59
OPRM1 P35372 8/20 0.59
OPRK1 P41145 3/20 0.59
PTPN1 P18031 1/20 0.52
IL1RN P18510 1/20 0.51
ERAP2 Q6P179 1/20 0.51
ERAP1 Q9NZ08 1/20 0.51

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
Hydrochloric Acid SCHEMBL30346038 0.91 OPRD1 (0.62) OPRD1OPRM1OPRK1
SCHEMBL9011304 0.87 REN (0.58) PTPN1
SCHEMBL11108119 0.85 REN (0.46) OPRD1OPRM1OPRK1PTPN1IL1RN
SCHEMBL9011301 0.85 REN (0.46) OPRD1OPRM1OPRK1PTPN1IL1RN
Hydrochloric Acid SCHEMBL30346086 0.82 OPRD1 (0.62) OPRD1OPRM1OPRK1
SCHEMBL12962529 0.82 OPRD1 (0.61) OPRD1OPRM1OPRK1
SCHEMBL12962537 0.82 OPRD1 (0.61) OPRD1OPRM1OPRK1
SCHEMBL21654224 0.82 OPRD1 (0.59) OPRD1OPRM1OPRK1
SCHEMBL9439870 0.82 IL1RN (0.53) OPRD1OPRM1OPRK1PTPN1IL1RN
Enkephalin SCHEMBL631958 0.82 OPRD1 (0.75) OPRD1OPRM1OPRK1

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
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