SCHEMBL29293129

SCHEMBL29293129

Clc1ccc2sc([C@H]3CCCOCC3)nc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.62
RAB9A P51151 2/20 0.62
CNR2 P34972 4/20 0.47
CNR1 P21554 1/20 0.47
IDO1 P14902 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CLK1 P49759 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
MAPT P10636 4/20 0.38
HCRTR1 O43613 2/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
F10 P00742 1/20 0.38
TP53 P04637 1/20 0.37
POLB P06746 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
SCHEMBL24364908 0.95 NPC1 (0.68) NPC1RAB9ACNR2CNR1IDO1
SCHEMBL31145141 0.95 NPC1 (0.68) NPC1RAB9ACNR2CNR1IDO1
SCHEMBL12209530 0.78 NPC1 (0.97) NPC1RAB9AIDO1SMN1; SMN2NPSR1
SCHEMBL30551597 0.77 NPC1 (0.94) NPC1RAB9AIDO1SMN1; SMN2NPSR1
SCHEMBL24367508 0.76 NPC1 (0.58) NPC1RAB9ACNR2CNR1SMN1; SMN2
SCHEMBL32688935 0.76 NPC1 (0.58) NPC1RAB9ACNR2CNR1SMN1; SMN2
SCHEMBL30753156 0.76 NPC1 (0.65) NPC1RAB9AIDO1SMN1; SMN2NPSR1
SCHEMBL24365278 0.75 NPC1 (0.64) NPC1RAB9ACNR2CNR1IDO1
SCHEMBL31145058 0.75 NPC1 (0.64) NPC1RAB9ACNR2CNR1IDO1
SCHEMBL24365159 0.75 NPC1 (0.72) NPC1RAB9AIDO1SMN1; SMN2NPSR1

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-3735411-B1 1,3,4,5-TETRAHYDRO-2H-PYRIDO[4,3-B]INDOLE DERIVATIVES FOR THE TREATMENT, ALLEVIATION OR PREVENTION OF DISORDERS ASSOCIATED WITH TAU AGGREGATES LIKE ALZHEIMER`S DISEASE AC IMMUNE SA (CH) 2024-07-10 EP disclosed