SCHEMBL22474188

SCHEMBL22474188

CC(OCc1ccccc1)[C@H](OCC1CC1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 1/20 0.38
▸ SLC6A2 P23975 2/20 0.36
▸ SLC6A4 P31645 2/20 0.36
▸ SLC6A3 Q01959 2/20 0.36
▸ NAAA Q02083 1/20 0.35
▸ HTT P42858 2/20 0.35

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
SCHEMBL17896242 1.00 SIGMAR1 (0.38) SIGMAR1SLC6A2SLC6A4SLC6A3NAAA
SCHEMBL19757660 0.83 GPR88 (0.38) SIGMAR1
SCHEMBL17900613 0.82 CYP3A4 (0.35) —
SCHEMBL17895071 0.78 CYP1A2 (0.40) —
SCHEMBL17900550 0.77 GPR88 (0.38) —
SCHEMBL14461655 0.76 HTT (0.40) SIGMAR1SLC6A2SLC6A4SLC6A3HTT
SCHEMBL28907529 0.73 HTT (0.47) SLC6A2SLC6A4SLC6A3HTT
SCHEMBL17896182 0.73 HTT (0.47) SLC6A2SLC6A4SLC6A3HTT
SCHEMBL22394295 0.71 ADRA2A (0.39) —
SCHEMBL22474334 0.69 GPR88 (0.40) —

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
EP-3255991-B1 PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2020-09-30 — — EP disclosed
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