SCHEMBL11328740

SCHEMBL11328740

CCCCCC(C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CNCC1

nearest known ligand 0.73

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 5/20 0.47
▸ CNR1 P21554 5/20 0.47
▸ KDR P35968 1/20 0.42
▸ MEN1 O00255 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ KMT2A Q03164 1/20 0.37

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
SCHEMBL11332426 0.99 CNR2 (0.46) CNR2CNR1KDRMEN1GAA
SCHEMBL11329040 0.99 CNR2 (0.46) CNR2CNR1KDRMEN1GAA
SCHEMBL11332053 0.97 CNR2 (0.46) CNR2CNR1KDRMEN1GAA
SCHEMBL9028216 0.90 CNR2 (0.46) CNR2CNR1MEN1GAAKMT2A
SCHEMBL11340124 0.86 CNR1 (0.42) CNR2CNR1
SCHEMBL11549445 0.85 — —
SCHEMBL11739301 0.85 CNR2 (0.48) CNR2CNR1KDRMEN1GAA
SCHEMBL11324307 0.84 CNR2 (0.55) CNR2CNR1MEN1GAAKMT2A
SCHEMBL11336617 0.84 — —
SCHEMBL11545322 0.84 CNR1 (0.41) CNR2CNR1

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-4254116-A ANALGESICS, ANTIDEPRESSANTS, NEUTRALIZING AGENTS ABBOTT LABORATORIES (US) 1981-03-03 — — US disclosed
Send feedback