SCHEMBL9815965

SCHEMBL9815965

CC(=O)Cc1ccc(OCC(O)CN2CCN(c3ccccc3)CC2)cc1

nearest known ligand 0.76

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 4/20 0.76
MAPT P10636 5/20 0.74
ALOX15 P16050 1/20 0.71
L3MBTL1 Q9Y468 2/20 0.70
MAPK1 P28482 1/20 0.70
ALDH1A1 P00352 1/20 0.67
LMNA P02545 1/20 0.67
KMT2A Q03164 2/20 0.67
ABCB1 P08183 4/20 0.61
MEN1 O00255 1/20 0.61
POLB P06746 1/20 0.60

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
SCHEMBL9815962 0.86 ABCB1 (0.77) ABCB1
SCHEMBL8613867 0.84 MAPT (0.82) HTR7MAPTALOX15L3MBTL1MAPK1
SCHEMBL9815960 0.84 KCNH2 (0.69) HTR7MAPTALOX15MAPK1ALDH1A1
SCHEMBL12577217 0.83 MAPT (1.00) HTR7MAPTALOX15L3MBTL1MAPK1
SCHEMBL12575381 0.83 MAPT (1.00) HTR7MAPTALOX15L3MBTL1MAPK1
SCHEMBL12577234 0.83 MAPT (0.81) HTR7MAPTALOX15L3MBTL1MAPK1
SCHEMBL12259197 0.82 MAPT (0.76) HTR7MAPTALOX15L3MBTL1MAPK1
SCHEMBL19852033 0.82 ABCB1 (0.80) HTR7MAPTALOX15L3MBTL1MAPK1
SCHEMBL25097473 0.82 MAPT (0.79) HTR7MAPTALOX15L3MBTL1MAPK1
SCHEMBL8009539 0.82 MAPT (0.79) HTR7MAPTALOX15L3MBTL1MAPK1

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-0167121-B1 SUBSTITUTED PHENYLPIPERAZINYL PROPANOLS, PROCESS FOR THEIR PREPARATION, THEIR USE, AND COMPOSITIONS CONTAINING THESE COMPOUNDS Beiersdorf Aktiengesellschaft (DE) 1991-10-23 EP disclosed
US-4631281-A ANTICOAGULANTS, ASTHMA, HYPOTENSIVE AGENTS, BRONCHOPILATORS, INOTROPIC AGENTS BEIERSDORF AKTIENGESELLSCHAFT (DE) 1986-12-23 US disclosed
EP-0167121-A2 Substituted phenylpiperazinyl propanols, process for their preparation, their use, and compositions containing these compounds Beiersdorf Aktiengesellschaft (DE) 1986-01-08 EP disclosed