SCHEMBL9215679

SCHEMBL9215679

Cc1cccc(OCCCN2CCCCC(CCl)C2)c1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
HRH3 Q9Y5N1 12/20 0.50
ALDH1A1 P00352 2/20 0.47
TSHR P16473 1/20 0.47
KMT2A Q03164 1/20 0.46

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
SCHEMBL9206438 0.89 HRH3 (0.64) KDM4EL3MBTL1HRH3ALDH1A1TSHR
SCHEMBL11983507 0.81 KDM4E (1.00) KDM4EL3MBTL1HRH3ALDH1A1TSHR
SCHEMBL9217121 0.81 HRH3 (0.56) HRH3
SCHEMBL9278988 0.81 HRH3 (0.48) HRH3
SCHEMBL9212860 0.78 HRH3 (0.57) HRH3TSHRKMT2A
SCHEMBL12660177 0.78 KDM4E (0.91) KDM4EL3MBTL1HRH3ALDH1A1TSHR
SCHEMBL9211609 0.77 KDM4E (0.55) KDM4EL3MBTL1HRH3ALDH1A1KMT2A
SCHEMBL21621022 0.77 KDM4E (0.64) KDM4EL3MBTL1HRH3
SCHEMBL8361480 0.76 KDM4E (0.83) KDM4EL3MBTL1ALDH1A1TSHR
SCHEMBL8691213 0.75 LTA4H (0.55) KDM4EHRH3ALDH1A1

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