Sugi Predict

Sugi Predict / Compounds / SCHEMBL9752779

SCHEMBL9752779

SCHEMBL9752779

CCc1ccc(C(C)CNCCCc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 9/20 0.51
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ KCNH2 Q12809 1/20 0.49
▸ BCHE P06276 1/20 0.47
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL8099094 0.91 SIGMAR1 (0.57) SIGMAR1MEN1KMT2AKCNH2BCHE
SCHEMBL8091786 0.89 SIGMAR1 (0.60) SIGMAR1MEN1KMT2AKCNH2
SCHEMBL9378576 0.85 SIGMAR1 (0.56) SIGMAR1MEN1KMT2AKCNH2
SCHEMBL8096269 0.85 SIGMAR1 (0.56) SIGMAR1MEN1KMT2AKCNH2
SCHEMBL9752913 0.85 SIGMAR1 (0.56) SIGMAR1MEN1KMT2AKCNH2NPC1
SCHEMBL8092963 0.84 SIGMAR1 (0.59) SIGMAR1MEN1KMT2AKCNH2
SCHEMBL8092627 0.83 SIGMAR1 (0.60) SIGMAR1MEN1KMT2ABCHENPC1
SCHEMBL8100061 0.83 MEN1 (0.53) SIGMAR1MEN1KMT2AKCNH2BCHE
SCHEMBL9372958 0.83 KMT2A (0.67) SIGMAR1MEN1KMT2AKCNH2BCHE
SCHEMBL6226287 0.79 MEN1 (0.65) SIGMAR1MEN1KMT2AKCNH2BCHE

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-1991009594-A1 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF VIRGINIA COMMONWEALTH UNIVERSITY (US) 1991-07-11 — — WO claimed