SCHEMBL9036857

SCHEMBL9036857

Cc1c(C(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2n1CCN1CCOCC1

nearest known ligand 0.74

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.63
CNR1 P21554 2/20 0.63
MTOR P42345 1/20 0.58
IRAK1 P51617 1/20 0.58
IRAK4 Q9NWZ3 1/20 0.58

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
SCHEMBL9037945 0.89 CNR1 (0.71) CNR2CNR1
SCHEMBL10666370 0.84 CNR1 (0.79) CNR2CNR1
SCHEMBL9036069 0.84 CNR1 (0.67) CNR2CNR1
SCHEMBL8792293 0.81 SRD5A1 (0.54) CNR2CNR1MTORIRAK4
SCHEMBL15142793 0.80 CNR1 (0.80) CNR2CNR1
SCHEMBL6324883 0.79 CNR2 (0.71) CNR2CNR1
SCHEMBL9691110 0.79 CNR1 (0.74) CNR2CNR1
SCHEMBL30353008 0.78 CNR1 (0.74) CNR2CNR1
Hydrochloric Acid SCHEMBL9691201 0.78 CNR1 (0.77) CNR2CNR1
SCHEMBL9037939 0.78 CNR1 (0.77) CNR2CNR1

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
EP-0445781-B1 3-Arylcarbonyl-1-aminoalkyl-1H-indole containing antiglaucoma compositions STERLING WINTHROP INC (US) 1996-01-31 EP disclosed
EP-0171037-B1 3-CARBONYL-1-AMINOALKYL-1H-INDOLES USEFUL AS ANALGESICS AND PREPARATION THEREOF STERLING WINTHROP INC. (US) 1992-06-17 EP disclosed
EP-0445781-A1 3-Arylcarbonyl-1-aminoalkyl-1H-indole containing antiglaucoma compositions STERLING WINTHROP INC. (US) 1991-09-11 EP disclosed
US-5013837-A Treatment of glaucoma STERLING DRUG INC. (US) 1991-05-07 US disclosed
US-4978664-A Analgesic, anti-rheumatic, and anti-inflammatory agent STERLING DRUG INC. (US) 1990-12-18 US disclosed
US-4885295-A ANALGESICS; ANTIINFLAMMATORY AGENTS; RHEUMATIC DISEASES STERLING DRUG INC. (US) 1989-12-05 US disclosed
US-RE32761-E ANALGESICS, ANTIRHEUMATIC AND ANTIINFLAMMATORY AGENT STERLING DRUG INC. (US) 1988-10-04 US disclosed
US-4634776-A ANALGESIC, ANTIRHEUMATIC, ANTIINFLAMMATORY STERLING DRUG, INC. (US) 1987-01-06 US disclosed
US-4581354-A ANALGESICS;ANTI-RHEUMATIC AND ANTI-INFLAMMATORY AGENTS STERLING DRUG INC. (US) 1986-04-08 US disclosed
EP-0171037-A2 3-Carbonyl-1-aminoalkyl-1H-indoles useful as analgesics and preparation thereof STERLING WINTHROP INC. (US) 1986-02-12 EP disclosed