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Sugi Predict / Compounds / SCHEMBL4012787

SCHEMBL4012787

SCHEMBL4012787

CC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)CC2CC2)on1.CC(C)CCS(=O)(=O)C(C)(C)C(=O)Nc1cc(C(C)(C)C)no1

nearest known ligand 0.82

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 19/20 0.82
▸ CNR1 P21554 9/20 0.62
▸ ALDH1A1 P00352 1/20 0.43

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
SCHEMBL1621173 0.92 CNR2 (0.72) CNR2CNR1ALDH1A1
SCHEMBL1621785 0.91 CNR2 (1.00) CNR2CNR1ALDH1A1
SCHEMBL4011549 0.89 CNR2 (0.68) CNR2CNR1ALDH1A1
SCHEMBL1620767 0.87 CNR2 (0.69) CNR2CNR1ALDH1A1
SCHEMBL1621253 0.86 CNR2 (0.68) CNR2CNR1ALDH1A1
SCHEMBL1621602 0.85 CNR2 (0.83) CNR2CNR1
SCHEMBL10171433 0.82 CNR2 (0.88) CNR2CNR1
SCHEMBL1621382 0.82 CNR2 (0.73) CNR2CNR1
SCHEMBL4013638 0.81 CNR2 (0.61) CNR2CNR1ALDH1A1
SCHEMBL10171306 0.81 CNR2 (0.81) CNR2CNR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2074084-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2009-07-01 — — EP disclosed
WO-2008039645-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-04-03 — — WO disclosed