SCHEMBL8561623

SCHEMBL8561623

O=C(Cl)OCCCN1CCNCC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
ALDH1A1 P00352 5/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CXCR4 P61073 2/20 0.43
HRH2 P25021 2/20 0.43
HRH1 P35367 2/20 0.43
KDM4E B2RXH2 4/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
HRH3 Q9Y5N1 1/20 0.40
EPHX2 P34913 1/20 0.40
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL8568547 0.89 KDM4E (0.47) LMNAALDH1A1MEN1KMT2AMAPT
SCHEMBL8560879 0.83 KDM4E (0.51) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL21750427 0.82 HRH2 (0.46) LMNAALDH1A1MEN1KMT2AMAPT
SCHEMBL8814790 0.82 CXCR4 (0.43) LMNAALDH1A1MEN1KMT2AMAPT
SCHEMBL8562390 0.81 CYP2D6 (0.54) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL1301323 0.80 HRH3 (0.49) LMNAALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL24562861 0.79 MEN1 (0.50) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL561818 0.79 HRH2 (0.44) LMNAALDH1A1MEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL1950623 0.79 HRH3 (0.48) LMNAALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL8560963 0.79 KDM4E (0.52) LMNAALDH1A1SMN1; SMN2KDM4EHRH3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5705497-A INOTROPIC, ANTIARRHYTHMIA AGENTS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-01-06 US disclosed