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SCHEMBL9301997

SCHEMBL9301997

COc1ccc(C(=O)c2c(C)n(CC3CCCN3C)c3ccccc23)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 2/20 0.62
▸ HTR6 P50406 1/20 0.48

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
Hydrochloric Acid SCHEMBL8583401 0.99 CNR1 (0.61) CNR1HTR6
SCHEMBL9302345 0.97 CNR1 (0.61) CNR1
Maleic Acid SCHEMBL8534291 0.94 CNR1 (0.56) CNR1HTR6
Fumaric Acid SCHEMBL8534296 0.94 CNR1 (0.56) CNR1HTR6
SCHEMBL9303207 0.92 CNR1 (0.63) CNR1
Hydrochloric Acid SCHEMBL8533745 0.87 ADRA2A (0.46) CNR1HTR6
SCHEMBL8534987 0.86 CNR1 (0.54) CNR1
SCHEMBL8535059 0.86 CNR1 (0.58) CNR1
SCHEMBL8530482 0.86 CNR1 (0.69) CNR1
SCHEMBL9302768 0.86 CNR1 (0.60) 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