SCHEMBL10370532

SCHEMBL10370532

COc1ccc(C2NCCNC2=O)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 9/20 0.55
PDE4B Q07343 5/20 0.55
PDE4C Q08493 5/20 0.55
PDE4D Q08499 5/20 0.55
ALDH1A1 P00352 2/20 0.50
GFER P55789 1/20 0.48
GAA P10253 1/20 0.45
RAB9A P51151 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
NR3C1 P04150 1/20 0.45
HTR2A P28223 3/20 0.43
HTR2C P28335 3/20 0.43
HTR2B P41595 3/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL10373386 0.79 GID4 (0.49) ALDH1A1GAARAB9AKDM4EMAPT
SCHEMBL10508333 0.77 HTR2C (0.51) GAAHTR2AHTR2CHTR2BKDM4E
SCHEMBL8354029 0.73 GAA (0.58) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL5586396 0.73 SMN1; SMN2 (0.47) ALDH1A1RAB9ANPSR1HTR2AHTR2C
SCHEMBL4025017 0.72 SLC6A2 (0.51) GAA
SCHEMBL24724688 0.71 KMT2A (0.74) ALDH1A1GAA
SCHEMBL28206529 0.71 KMT2A (0.74) ALDH1A1GAA
SCHEMBL10371798 0.71 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL10680359 0.71 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL10680345 0.71 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DALDH1A1

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-0072932-B1 PIPERAZINONES, THEIR PREPARATION AND USE CASSELLA Aktiengesellschaft (DE) 1990-01-17 EP disclosed
US-4598079-A MEMORY DISORDERS CASSELLA AKTIENGESELLSCHAFT (DE) 1986-07-01 US disclosed
EP-0072932-A2 Piperazinones, their preparation and use CASSELLA Aktiengesellschaft (DE) 1983-03-02 EP disclosed