SCHEMBL9520591

SCHEMBL9520591

COc1ccc(OC)c(N(CCCCc2ccccc2)C(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ACHE P22303 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL579843 0.82 SIGMAR1 (0.43) SIGMAR1
SCHEMBL580340 0.81 HTR2A (0.40)
SCHEMBL9520669 0.77 SIGMAR1 (0.51) POLBALDH1A1SIGMAR1MEN1KMT2A
SCHEMBL5666026 0.76 MEN1 (0.50) POLBALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL11676878 0.74 GAA (0.44) POLBMEN1KMT2AMAPT
SCHEMBL9520915 0.72 HTR2A (0.39) ALDH1A1SIGMAR1KMT2AMAPT
SCHEMBL9521674 0.72 SIGMAR1 (0.58) SIGMAR1
SCHEMBL11255464 0.71 POLB (0.49) POLBALDH1A1SMN1; SMN2SIGMAR1MEN1
SCHEMBL5664114 0.71 MTNR1B (0.58) POLB
SCHEMBL11777003 0.71 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2KDM4EMAPT

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-0507863-A4 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF 1993-07-07 EP claimed
EP-0507863-A1 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF VIRGINIA COMMONWEALTH UNIVERSITY (US) 1992-10-14 EP claimed