SCHEMBL9513876

SCHEMBL9513876

NC1Cc2ccc3ccccc3c2CC1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 10/20 1.00
IL1RN P18510 1/20 0.38
ERAP2 Q6P179 1/20 0.38
ERAP1 Q9NZ08 1/20 0.38

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
Trifluoroacetic Acid SCHEMBL9513860 0.88 ANPEP (0.78) ANPEPIL1RNERAP2ERAP1
SCHEMBL9513734 0.87 ANPEP (0.77) ANPEP
SCHEMBL8200010 0.78 ANPEP (0.64) ANPEPIL1RNERAP2ERAP1
SCHEMBL31274510 0.72 ANPEP (0.55) ANPEP
SCHEMBL2535555 0.72 ANPEP (0.55) ANPEP
SCHEMBL29811500 0.72 ANPEP (0.55) ANPEP
SCHEMBL1718464 0.71 ANPEP (0.96) ANPEP
SCHEMBL21333954 0.71 ANPEP (0.55) ANPEP
SCHEMBL8631958 0.70 ANPEP (0.53) ANPEP
Ammonia Solution, Strong SCHEMBL7354925 0.70 ANPEP (0.53) ANPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0378456-B1 TETRALIN DERIVATIVES MERRELL DOW PHARMACEUTICALS INC. (US) 1993-09-15 EP claimed
US-5106861-A Method of using certain tetralin derivatives to produce analgesic relief MERRELL DOW PHARMACEUTICALS INC. (US) 1992-04-21 US claimed
US-5041673-A Aminopeptidase inhibitors, immunomodulators, analgesics MERRELL DOW PHARMACEUTICALS INC. (US) 1991-08-20 US claimed
EP-0378456-A1 Tetralin derivatives MERRELL DOW PHARMACEUTICALS INC. (US) 1990-07-18 EP claimed
EP-0378456-B1 TETRALIN DERIVATIVES MERRELL DOW PHARMACEUTICALS INC. (US) 1993-09-15 EP disclosed
US-5106861-A Method of using certain tetralin derivatives to produce analgesic relief MERRELL DOW PHARMACEUTICALS INC. (US) 1992-04-21 US disclosed
US-5041673-A Aminopeptidase inhibitors, immunomodulators, analgesics MERRELL DOW PHARMACEUTICALS INC. (US) 1991-08-20 US disclosed
EP-0381902-A1 Tetralin derivatives MERRELL DOW PHARMACEUTICALS INC. (US) 1990-08-16 EP disclosed
EP-0378456-A1 Tetralin derivatives MERRELL DOW PHARMACEUTICALS INC. (US) 1990-07-18 EP disclosed