SCHEMBL9738734

SCHEMBL9738734

Cc1cccc(OCCCN2CCCC(CN3CCc4cc5c(cc4CC3=O)OCO5)C2)c1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HRH3 Q9Y5N1 12/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
LMNA P02545 2/20 0.39
HRH1 P35367 1/20 0.39
DRD2 P14416 1/20 0.38

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 SCHEMBL9741653 0.99 KDM4E (0.45) KDM4EL3MBTL1HRH3ALDH1A1MAPT
SCHEMBL9739297 0.92 HRH3 (0.48) KDM4EHRH3ALDH1A1TSHRHRH1
Hydrochloric Acid SCHEMBL9213581 0.91 KDM4E (0.46) KDM4EL3MBTL1HRH3ALDH1A1MAPT
Hydrochloric Acid SCHEMBL9739482 0.89 HRH3 (0.44) HRH3MAPTTSHRHRH1DRD2
Hydrochloric Acid SCHEMBL9215867 0.88 KDM4E (0.47) KDM4EL3MBTL1HRH3HRH1DRD2
SCHEMBL10722947 0.87 HRH3 (0.39) KDM4EHRH3ALDH1A1HRH1DRD2
SCHEMBL9739972 0.87 LMNA (0.46) KDM4EHRH3ALDH1A1LMNA
Hydrochloric Acid SCHEMBL9738996 0.86 HRH3 (0.48) HRH3MAPTTSHRHRH1DRD2
Hydrochloric Acid SCHEMBL9740921 0.86 LMNA (0.45) KDM4EHRH3ALDH1A1LMNA
Hydrochloric Acid SCHEMBL9740789 0.86 KDM4E (0.48) KDM4EL3MBTL1HRH3ALDH1A1HRH1

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
US-5175157-A Cardiovascular disorders BOEHRINGER INGELHEIM GMBH (DE) 1992-12-29 US disclosed
EP-0224794-B1 CYCLIC AMINE DERIVATIVES, MEDICINES CONTAINING THESE COMPOUNDS AND PROCESS FOR THEIR PREPARATION Dr. Karl Thomae GmbH (DE) 1990-09-12 EP disclosed