SCHEMBL9212607

SCHEMBL9212607

O=C1Cc2cc3c(cc2C=CN1CCC1CCCCN1CCCc1ccncc1)OCO3

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
NOS2 P35228 1/20 0.32
HRH3 Q9Y5N1 2/20 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
Hydrochloric Acid SCHEMBL9739777 0.98 MAPK1 (0.32) MAPK1MEN1POLBKMT2ANOS2
SCHEMBL9212354 0.87 HRH3 (0.35) HRH3
Hydrochloric Acid SCHEMBL9741088 0.87 HRH3 (0.34) HRH3
SCHEMBL9206942 0.83 KDM4E (0.35) MAPK1MEN1POLBKMT2ANOS2
Hydrochloric Acid SCHEMBL9740720 0.82 KDM4E (0.34) MAPK1MEN1POLBKMT2ANOS2
SCHEMBL9216605 0.80 HRH3 (0.37) MAPK1MEN1POLBKMT2ANOS2
Hydrochloric Acid SCHEMBL9739030 0.78 HRH3 (0.38) MAPK1MEN1POLBKMT2ANOS2
SCHEMBL9214421 0.78 HRH3 (0.40) MAPK1MEN1POLBKMT2ANOS2
Hydrochloric Acid SCHEMBL9208307 0.77 HRH3 (0.39) MAPK1MEN1POLBKMT2AHRH3
Hydrochloric Acid SCHEMBL9215780 0.75 DRD2 (0.40) MAPK1MEN1POLBKMT2ANOS2

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