SCHEMBL9302345

SCHEMBL9302345

COc1ccc(C(=O)c2c(C)n(CC3CCCCN3C)c3ccccc23)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.61
DRD1 P21728 1/20 0.52
HRH2 P25021 1/20 0.52
HTR2A P28223 1/20 0.52
HTR2C P28335 1/20 0.52
OPRK1 P41145 1/20 0.52
HTR2B P41595 1/20 0.52
KCNH2 Q12809 1/20 0.52
ADRA2A P08913 1/20 0.49

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
SCHEMBL9301997 0.97 CNR1 (0.62) CNR1
Hydrochloric Acid SCHEMBL8583401 0.96 CNR1 (0.61) CNR1
Maleic Acid SCHEMBL8534291 0.91 CNR1 (0.56) CNR1
Fumaric Acid SCHEMBL8534296 0.91 CNR1 (0.56) CNR1
SCHEMBL9303207 0.89 CNR1 (0.63) CNR1DRD1HRH2HTR2AHTR2C
SCHEMBL8535059 0.85 CNR1 (0.58) CNR1
SCHEMBL8530482 0.85 CNR1 (0.69) CNR1
Hydrochloric Acid SCHEMBL8531635 0.84 CNR1 (0.57) CNR1
Hydrochloric Acid SCHEMBL8533745 0.84 ADRA2A (0.46) CNR1ADRA2A
SCHEMBL8534364 0.84 CNR1 (0.58) CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5324737-A Analgesics, antirheumatic and antiinflammatory agents, glaucoma STERLING WINTHROP INC. (US) 1994-06-28 US claimed