SCHEMBL20385136

SCHEMBL20385136

N/N=C(\Nc1ccccc1F)c1ccccc1-c1ccccc1OCC1CC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX1 Q96LB2 1/20 0.43
▸ KCNN4 O15554 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.36
▸ P2RX4 Q99571 1/20 0.36
▸ HTT P42858 1/20 0.35
▸ C5AR1 P21730 1/20 0.35
▸ IDH2 P48735 1/20 0.35
▸ KMT2A Q03164 1/20 0.34
▸ PDE4A P27815 2/20 0.34
▸ PDE4B Q07343 2/20 0.34
▸ PDE4C Q08493 2/20 0.34
▸ PDE4D Q08499 2/20 0.34
▸ PDE5A O76074 1/20 0.34
▸ FEN1 P39748 1/20 0.34
▸ CHRM3 P20309 1/20 0.34
▸ SIRT2 Q8IXJ6 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ HTR2C P28335 2/20 0.33

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
SCHEMBL20385162 0.82 KCNN4 (0.40) KCNN4ALDH1A1HTTKMT2AGAA
SCHEMBL20385145 0.81 KCNN4 (0.41) KCNN4ALDH1A1HTTKMT2AFEN1
SCHEMBL20385157 0.80 NPC1 (0.40) ALDH1A1HTTKMT2AGAARAB9A
SCHEMBL20385125 0.80 HPGD (0.50) ALDH1A1HTTKMT2AGAARAB9A
SCHEMBL20385126 0.78 HTT (0.39) KCNN4ALDH1A1HTTKMT2ARAB9A
SCHEMBL20385152 0.78 HTT (0.47) ALDH1A1HTTKMT2ARAB9A
SCHEMBL20385146 0.77 KMT2A (0.40) MRGPRX1KCNN4ALDH1A1HTTKMT2A
SCHEMBL20385115 0.75 HTT (0.43) ALDH1A1HTTKMT2ARAB9A
SCHEMBL20385135 0.75 NPC1 (0.44) HTTKMT2AGAARAB9A
SCHEMBL20385150 0.74 ALDH1A1 (0.38) KCNN4ALDH1A1HTTKMT2AGAA

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-2867215-B1 TETRAZOLE DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS SANIONA AS (DK) 2018-07-18 — — EP disclosed
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