SCHEMBL9214376

SCHEMBL9214376

O=C1c2cc3c(cc2CCN1CC1CCN(CC(O)CCc2cccc4ccccc24)C1)OCO3

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
UBE2N P61088 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PRMT5 O14744 14/20 0.40
WDR77 Q9BQA1 14/20 0.40

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
SCHEMBL9214560 0.95 PRMT5 (0.43) PRMT5WDR77
Hydrochloric Acid SCHEMBL9211875 0.92 KDM4E (0.42) KDM4EALDH1A1LMNAUBE2NL3MBTL1
SCHEMBL9213257 0.88 PRMT5 (0.42) KDM4EALDH1A1LMNAUBE2NL3MBTL1
SCHEMBL9742144 0.88 PRMT5 (0.43) PRMT5WDR77
Hydrochloric Acid SCHEMBL9213807 0.88 ALDH1A1 (0.40) KDM4EALDH1A1UBE2NPRMT5WDR77
Hydrochloric Acid SCHEMBL9215883 0.88 PRMT5 (0.43) KDM4EALDH1A1LMNAUBE2NL3MBTL1
SCHEMBL9216594 0.84 PRMT5 (0.39) PRMT5WDR77
SCHEMBL9213748 0.84 ABCB1 (0.38) PRMT5WDR77
Hydrochloric Acid SCHEMBL9209655 0.84 GRM5 (0.39)
Hydrochloric Acid SCHEMBL9741203 0.84 PRMT5 (0.46) PRMT5WDR77

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