SCHEMBL9030645

SCHEMBL9030645

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
MAPT P10636 3/20 0.41
NR4A2 P43354 1/20 0.40
IDO1 P14902 2/20 0.39
SLC6A4 P31645 1/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
UTS2R Q9UKP6 1/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38
TUBB8 Q3ZCM7 1/20 0.38
TUBA3E Q6PEY2 1/20 0.38

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
SCHEMBL9172463 0.89 ALDH1A1 (0.46) SMN1; SMN2L3MBTL1SIGMAR1MAPTNR4A2
SCHEMBL1710716 0.86 NPC1 (0.33) SMN1; SMN2L3MBTL1SIGMAR1MAPTIDO1
SCHEMBL9029972 0.86 SMN1; SMN2 (0.46) SMN1; SMN2L3MBTL1SIGMAR1MAPTNR4A2
SCHEMBL9038781 0.86 F7 (0.47) NR4A2IDO1TUBB4ATUBBTUBA3C
SCHEMBL9031186 0.85 GABRA1 (0.48) SMN1; SMN2MAPTNR4A2MEN1GAA
SCHEMBL9174233 0.84 MAPT (0.39) SMN1; SMN2L3MBTL1SIGMAR1MAPTNR4A2
SCHEMBL9177377 0.84 SMN1; SMN2 (0.45) SMN1; SMN2L3MBTL1SIGMAR1MAPTNR4A2
SCHEMBL9176380 0.83 SMN1; SMN2 (0.44) SMN1; SMN2L3MBTL1SIGMAR1MAPTNR4A2
SCHEMBL9172798 0.83 SLC6A4 (0.46) MAPTIDO1SLC6A4TUBB4ATUBB
SCHEMBL9038086 0.82 IDO1 (0.42) SMN1; SMN2L3MBTL1SIGMAR1MAPTIDO1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0699195-A1 THIOINDOLE PYPERIDINYL DERIVATIVES USED AS ANTALGICS LABORATOIRES UPSA (FR) 1996-03-06 EP disclosed
WO-1994026736-A1 THIOINDOLE PYPERIDINYL DERIVATIVES USED AS ANTALGICS LABORATOIRES UPSA (FR) 1994-11-24 WO disclosed