SCHEMBL9689406

SCHEMBL9689406

COc1ccc(C(=O)c2c(C)n(CCN(C=O)CCO)c3ccccc23)cc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.58
CNR2 P34972 7/20 0.48
GMNN O75496 1/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
NFKB1 P19838 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP2C19 P33261 1/20 0.47
THPO P40225 1/20 0.47
MTOR P42345 1/20 0.47
BLM P54132 1/20 0.47
PMP22 Q01453 1/20 0.47
HIF1A Q16665 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL9037475 0.85 CNR1 (0.70) CNR1CNR2GMNNLMNACYP1A2
SCHEMBL10660791 0.84 CNR1 (0.66) CNR1CNR2GMNNLMNACYP1A2
SCHEMBL10853809 0.82 CNR1 (0.64) CNR1CNR2GMNNLMNACYP1A2
SCHEMBL9690630 0.81 CNR1 (0.62) CNR1CNR2GMNNLMNACYP1A2
SCHEMBL10738511 0.79 CNR1 (0.69) CNR1CNR2GMNNLMNACYP1A2
SCHEMBL9035533 0.77 CNR1 (0.66) CNR1CNR2GMNNLMNACYP1A2
SCHEMBL9691719 0.77 CNR1 (0.66) CNR1CNR2GMNNLMNACYP1A2
SCHEMBL9690763 0.76 CNR1 (0.77) CNR1CNR2CYP1A2CYP3A4TSHR
SCHEMBL17414512 0.76 CNR2 (0.74) CNR1CNR2
Maleic Acid SCHEMBL9689420 0.76 CNR1 (0.61) CNR1CNR2GMNNLMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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