SCHEMBL10366166

SCHEMBL10366166

COc1ccc2c(c1)CCC1CC(=O)N(c3ccc(C)cc3)N=C21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 1/20 0.43
APP P05067 1/20 0.41
NPC1 O15118 2/20 0.40
CYP19A1 P11511 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
MAOB P27338 1/20 0.40
CYP24A1 Q07973 3/20 0.40
CYP26A1 O43174 2/20 0.40
ALDH1A1 P00352 2/20 0.39
DRD2 P14416 2/20 0.39
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
HTR2B P41595 2/20 0.39
SIGMAR1 Q99720 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL10367982 0.91 MEN1 (0.48) MEN1KMT2ASMN1; SMN2GAAAPP
SCHEMBL10365856 0.87 APP (0.44) MEN1KMT2ASMN1; SMN2GAAAPP
SCHEMBL10365961 0.87 APP (0.43) MEN1KMT2ASMN1; SMN2GAAAPP
SCHEMBL9865424 0.84 MIF (0.40) GAACYP19A1MAOBCYP26A1ALDH1A1
SCHEMBL10368105 0.84 MAPT (0.41) MEN1KMT2AGAANPC1RAB9A
SCHEMBL10658164 0.84 APP (0.40) MEN1KMT2ASMN1; SMN2GAAAPP
SCHEMBL10368102 0.84 KDM4E (0.48) MEN1KMT2ASMN1; SMN2GAAAPP
SCHEMBL10366190 0.83 DRD2 (0.43) MEN1KMT2ASMN1; SMN2GAAAPP
SCHEMBL9868430 0.83 TOP1 (0.35) MEN1KMT2ANPC1MAPK1RAB9A
SCHEMBL10366354 0.82 PDE4A (0.40) MEN1KMT2ASMN1; SMN2GAAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0190367-B1 BENZO ADH BDCINNOLINE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND MECIDINAL COMPOSITION CONTAINING THEM Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1990-01-17 EP disclosed
US-4782057-A ANTIDOTES FOR OVERSEDATION, ANXIOLYTICS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1988-11-01 US disclosed
EP-0190367-A1 BENZO ADh BDCINNOLINE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND MECIDINAL COMPOSITION CONTAINING THEM Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1986-08-13 EP disclosed