SCHEMBL10367756

SCHEMBL10367756

Cc1ccc2c(c1)C1=NN(c3cccc(Cl)n3)C(=O)CC1CC2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM7 Q14831 3/20 0.33
HTR3E A5X5Y0 2/20 0.33
HTR3B O95264 2/20 0.33
HTR3A P46098 2/20 0.33
HTR3D Q70Z44 2/20 0.33
HTR3C Q8WXA8 2/20 0.33
ALOX5 P09917 1/20 0.33
PTGS2 P35354 3/20 0.32
PIK3CA P42336 1/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
KMT2A Q03164 1/20 0.32
ACHE P22303 3/20 0.32
SRD5A1 P18405 2/20 0.31
PTGS1 P23219 2/20 0.31
PARP1 P09874 1/20 0.31

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
SCHEMBL10367467 0.82 MAPT (0.44) PTGS2MEN1KMT2AACHESRD5A1
SCHEMBL10367572 0.82 KDM4E (0.44) PTGS2MEN1CYP1A2TSHRKMT2A
SCHEMBL10365809 0.81 ACHE (0.38) PTGS2ACHESRD5A1PTGS1PARP1
SCHEMBL10366354 0.78 PDE4A (0.40) PTGS2MEN1CYP1A2TSHRKMT2A
SCHEMBL10365420 0.78 MAPT (0.41) PTGS2MEN1KMT2ASRD5A1PTGS1
SCHEMBL9602844 0.78 ACHE (0.35) PTGS2TSHRACHEPTGS1PARP1
SCHEMBL10365856 0.76 APP (0.44) MEN1TSHRKMT2A
SCHEMBL10366227 0.75 CD274 (0.50) GRM7HTR1AHTR7HTR2AHTR2C
SCHEMBL9738376 0.74 ACHE (0.42) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7287680 0.74 ALDH1A1 (0.43) PTGS2MEN1CYP1A2TSHRKMT2A

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