SCHEMBL9215853

SCHEMBL9215853

COc1cc2c(cc1OC)CC(=O)N(CC1CCCCN(CC(O)Cc3cccc4c(OC)c(OC)ccc34)C1)CC2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCN4 Q9Y3Q4 3/20 0.35
MAPT P10636 2/20 0.35
CYP3A4 P08684 1/20 0.34
ALOX15 P16050 1/20 0.34
KDM4E B2RXH2 1/20 0.33
TSHR P16473 1/20 0.33
CHRM2 P08172 1/20 0.33
HTR1A P08908 1/20 0.33
SLC6A4 P31645 1/20 0.33
DRD3 P35462 1/20 0.33
KCNH2 Q12809 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
ADRA1B P35368 1/20 0.33
PRMT5 O14744 2/20 0.32
WDR77 Q9BQA1 2/20 0.32

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
SCHEMBL9207879 0.96 KMT2A (0.33) HCN4MAPTCYP3A4ALOX15KDM4E
SCHEMBL9204857 0.91 ADRA1B (0.40) KDM4EHTR1ADRD3SMN1; SMN2ADRA1B
Hydrochloric Acid SCHEMBL9215535 0.91 ADRA1B (0.40) KDM4ESMN1; SMN2MEN1KMT2AADRA1B
SCHEMBL9208157 0.89 MEN1 (0.37) MAPTKDM4ETSHRMEN1KMT2A
Hydrochloric Acid SCHEMBL9213751 0.87 KDM4E (0.36) MAPTKDM4ETSHRSMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL9206175 0.86 PDE4B (0.40) MAPTKDM4ETSHRDRD3MEN1
SCHEMBL9212598 0.86 PRMT5 (0.35) MAPTKDM4ETSHRSMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL9213973 0.86 ADRA1B (0.34) MAPTKDM4ETSHRSMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL9204551 0.86 ADRA1B (0.41) KDM4ESMN1; SMN2ADRA1BPRMT5WDR77
Hydrochloric Acid SCHEMBL9204657 0.85 PRMT5 (0.35) MAPTKDM4ESMN1; SMN2MEN1KMT2A

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-0292840-B1 Cyclic amine derivatives, medicaments containing these compounds and procedure for their preparation THOMAE GMBH DR K (DE) 1995-08-09 EP disclosed
US-5175157-A Cardiovascular disorders BOEHRINGER INGELHEIM GMBH (DE) 1992-12-29 US disclosed
EP-0292840-A2 Cyclic amine derivatives, medicaments containing these compounds and procedure for their preparation Dr. Karl Thomae GmbH (DE) 1988-11-30 EP disclosed