SCHEMBL9210433

SCHEMBL9210433

COc1ccc2c(CC(O)CN3CCCC(CN4CCc5cc(OC)c(OC)cc5C4=O)C3)cccc2c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 4/20 0.41
WDR77 Q9BQA1 3/20 0.41
ADRA1B P35368 1/20 0.40
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
MAPT P10636 1/20 0.38
ALDH1A1 P00352 2/20 0.37
RAD52 P43351 2/20 0.37
KDM4E B2RXH2 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KDM2B Q8NHM5 1/20 0.37
GAA P10253 1/20 0.37

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
Hydrochloric Acid SCHEMBL9215384 0.97 PRMT5 (0.40) PRMT5WDR77ADRA1BALDH1A1RAD52
SCHEMBL9215245 0.96 ALDH1A1 (0.41) PRMT5WDR77ADRA1BADRB2ADRB1
SCHEMBL9215629 0.93 PRMT5 (0.38) PRMT5WDR77ADRB2ADRB1ADRB3
Hydrochloric Acid SCHEMBL9207178 0.92 ADRA1B (0.41) PRMT5WDR77ADRA1BALDH1A1KDM4E
SCHEMBL9211468 0.91 PRMT5 (0.41) PRMT5WDR77ALDH1A1RAD52KDM4E
SCHEMBL9208294 0.91 PRMT5 (0.42) PRMT5WDR77
SCHEMBL9206642 0.91 PRMT5 (0.40) PRMT5WDR77ALDH1A1RAD52KDM4E
Hydrochloric Acid SCHEMBL9212963 0.91 PRMT5 (0.40) PRMT5WDR77ALDH1A1RAD52KDM4E
SCHEMBL9208286 0.90 ADRA1B (0.41) PRMT5WDR77ADRA1BALDH1A1KDM4E
Hydrochloric Acid SCHEMBL9214235 0.90 ADRA1B (0.41) PRMT5WDR77ADRA1BALDH1A1RAD52

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 2 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