SCHEMBL20648951

SCHEMBL20648951

O=CNc1nc(COC2CCN(CC3CCCCC3)CC2)cs1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN1A P35498 1/20 0.36
▸ SCN8A Q9UQD0 1/20 0.36
▸ CNR1 P21554 2/20 0.33
▸ CNR2 P34972 2/20 0.33
▸ NAMPT P43490 2/20 0.33
▸ EHMT2 Q96KQ7 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ CASP4 P49662 1/20 0.33
▸ CASP5 P51878 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ CHRM5 P08912 1/20 0.33
▸ ADRA2C P18825 1/20 0.33
▸ ADRA2B P18089 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32

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
SCHEMBL20640325 0.80 LMNA (0.43) NPC1LMNAHTTRAB9ACASP1
SCHEMBL20640307 0.80 LMNA (0.43) NPC1LMNAHTTRAB9ACASP1
SCHEMBL20649124 0.75 F2 (0.32) MEN1NPC1LMNAHTTRAB9A
SCHEMBL7718051 0.65 SMN1; SMN2 (0.35) MEN1NPC1LMNAHTTRAB9A
SCHEMBL20640322 0.63 LMNA (0.41) NPC1LMNAHTTRAB9AOPRM1
SCHEMBL20640319 0.63 LMNA (0.41) NPC1LMNAHTTRAB9AOPRM1
SCHEMBL29951538 0.62 SMN1; SMN2 (0.37) MEN1NPC1RAB9AKMT2A
SCHEMBL9050304 0.62 SMN1; SMN2 (0.56) MEN1NPC1LMNARAB9AKMT2A
SCHEMBL20649096 0.62 GPR119 (0.51) KMT2A
SCHEMBL20640306 0.60 LMNA (0.46) CNR1CNR2MEN1NPC1LMNA

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
WO-2019011715-A1 PYRAZOLO-QUINAZOLINE DERIVATIVES AS CHOLINE KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2019-01-17 — — WO disclosed
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