SCHEMBL20649124

SCHEMBL20649124

CC1(C)CCC(N2CCC(OCc3csc(NC=O)n3)CC2)CC1

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 2/20 0.32
▸ F10 P00742 2/20 0.32
▸ NPC1 O15118 2/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ GAA P10253 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ OPRM1 P35372 1/20 0.31
▸ OPRL1 P41146 1/20 0.31
▸ HRH3 Q9Y5N1 2/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL20640320 0.81 LMNA (0.39) NPC1RAB9AMAPTSMN1; SMN2OPRM1
SCHEMBL20648951 0.75 SCN1A (0.36) NPC1RAB9AOPRM1OPRL1MEN1
SCHEMBL20640300 0.70 LMNA (0.37) NPC1RAB9AMAPTSMN1; SMN2LMNA
SCHEMBL21875682 0.70 ALDH1A1 (0.41) F2F10NPC1RAB9AGAA
SCHEMBL21875681 0.70 ALDH1A1 (0.41) F2F10NPC1RAB9AGAA
SCHEMBL20640338 0.70 LMNA (0.36) NPC1RAB9AMAPTSMN1; SMN2HRH3
SCHEMBL30183293 0.68 F2 (0.33) F2F10
SCHEMBL20649026 0.68 F2 (0.52) F2F10SMN1; SMN2
Hydrochloric Acid SCHEMBL30183306 0.68 F2 (0.32) F2F10
SCHEMBL20640322 0.66 LMNA (0.41) NPC1RAB9AMAPTSMN1; SMN2OPRM1

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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