SCHEMBL9691579

SCHEMBL9691579

COc1ccc(C(=O)c2c(C)n(CCN3CCOCC3)c3cc(OCc4ccccc4)ccc23)cc1

nearest known ligand 0.79

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.73
CNR2 P34972 2/20 0.71
ALDH1A1 P00352 1/20 0.71
TP53 P04637 1/20 0.71
CYP1A2 P05177 1/20 0.71
CYP3A4 P08684 1/20 0.71
TSHR P16473 1/20 0.71
RECQL P46063 1/20 0.71
TDP1 Q9NUW8 1/20 0.71

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
SCHEMBL10665988 0.89 CNR1 (0.85) CNR1CNR2ALDH1A1TP53CYP1A2
SCHEMBL9690687 0.88 CNR1 (0.76) CNR1
SCHEMBL10460131 0.86 CNR1 (0.80) CNR1CNR2ALDH1A1TP53CYP1A2
SCHEMBL15126343 0.85 CNR1 (0.81) CNR1CNR2ALDH1A1TP53CYP1A2
Pravadoline SCHEMBL488940 0.85 CNR1 (1.00) CNR1CNR2ALDH1A1TP53CYP1A2
Pravadoline SCHEMBL30353006 0.85 CNR1 (1.00) CNR1CNR2ALDH1A1TP53CYP1A2
Hydrochloric Acid SCHEMBL9690612 0.84 CNR1 (0.77) CNR1CNR2ALDH1A1TP53CYP1A2
SCHEMBL9691060 0.83 CNR1 (0.75) CNR1CNR2ALDH1A1TP53CYP1A2
SCHEMBL2545822 0.83 CNR1 (1.00) CNR1CNR2ALDH1A1TP53CYP1A2
SCHEMBL29385060 0.83 CNR1 (1.00) CNR1CNR2ALDH1A1TP53CYP1A2

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
US-RE32761-E ANALGESICS, ANTIRHEUMATIC AND ANTIINFLAMMATORY AGENT STERLING DRUG INC. (US) 1988-10-04 US claimed
EP-0171037-B1 3-CARBONYL-1-AMINOALKYL-1H-INDOLES USEFUL AS ANALGESICS AND PREPARATION THEREOF STERLING WINTHROP INC. (US) 1992-06-17 EP disclosed
US-5013732-A Analgesics 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