SCHEMBL9174233

SCHEMBL9174233

C=COC(=O)N1CCC(Sc2c[nH]c3ccc(Br)cc23)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
NR4A2 P43354 1/20 0.37
IDO1 P14902 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36
TUBB2A Q13885 1/20 0.36
TUBB8 Q3ZCM7 1/20 0.36
TUBA3E Q6PEY2 1/20 0.36
TUBA1A Q71U36 1/20 0.36
TUBA1C Q9BQE3 1/20 0.36
TUBB6 Q9BUF5 1/20 0.36
TUBB2B Q9BVA1 1/20 0.36
TUBB1 Q9H4B7 1/20 0.36

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
SCHEMBL9176103 0.88 F7 (0.38) NR4A2IDO1TUBB4ATUBBTUBA3C
SCHEMBL9031186 0.84 GABRA1 (0.48) MAPTNR4A2SMN1; SMN2MEN1GAA
SCHEMBL9030645 0.84 SMN1; SMN2 (0.41) MAPTNR4A2IDO1SMN1; SMN2L3MBTL1
SCHEMBL9172463 0.83 ALDH1A1 (0.46) MAPTNR4A2IDO1SMN1; SMN2L3MBTL1
SCHEMBL9029972 0.79 SMN1; SMN2 (0.46) MAPTNR4A2IDO1SMN1; SMN2L3MBTL1
SCHEMBL9038086 0.78 IDO1 (0.42) MAPTIDO1SMN1; SMN2L3MBTL1TUBB4A
SCHEMBL9177377 0.78 SMN1; SMN2 (0.45) MAPTNR4A2IDO1SMN1; SMN2L3MBTL1
SCHEMBL9176380 0.77 SMN1; SMN2 (0.44) MAPTNR4A2IDO1SMN1; SMN2L3MBTL1
SCHEMBL9172798 0.77 SLC6A4 (0.46) MAPTIDO1TUBB4ATUBBTUBA3C
SCHEMBL9178346 0.76 IDO1 (0.47) MAPTNR4A2IDO1SMN1; SMN2L3MBTL1

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
US-5418242-A Piperidinylthioindole derivatives, their methods of preparation and pharmaceutical compositions in which they are present, useful especially as analgesics LABORATOIRES UPSA (FR) 1995-05-23 US disclosed