SCHEMBL9815989

SCHEMBL9815989

COc1ccccc1N1CCN(CC(O)COc2cccc(C(=CN(C)C)C(C)=O)c2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 8/20 0.60
MAPT P10636 7/20 0.57
ALDH1A1 P00352 2/20 0.57
LMNA P02545 5/20 0.56
MAPK1 P28482 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
KCNH2 Q12809 2/20 0.54
KDM4E B2RXH2 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
HIF1A Q16665 2/20 0.54
NR1I2 O75469 1/20 0.54
NR3C1 P04150 1/20 0.54
ADRB1 P08588 1/20 0.54
HTR1A P08908 1/20 0.54
ADRA2A P08913 1/20 0.54
DRD2 P14416 1/20 0.54
ADRA2B P18089 1/20 0.54
ADRA2C P18825 1/20 0.54
DRD1 P21728 1/20 0.54

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
SCHEMBL9815982 0.91 KCNH2 (0.61) ABCB1MAPTALDH1A1LMNAMAPK1
SCHEMBL11073264 0.86 ABCB1 (0.59) ABCB1MAPTALDH1A1LMNAMAPK1
SCHEMBL9815996 0.83 ABCB1 (0.61) ABCB1MEN1KMT2A
SCHEMBL10837921 0.80 CACNA1G (0.65) ABCB1MAPTLMNAMAPK1KCNH2
SCHEMBL9815959 0.80 ABCB1 (0.74) ABCB1
SCHEMBL9816000 0.80 MAPT (0.64) ABCB1MAPTALDH1A1LMNAMAPK1
SCHEMBL21792814 0.79 MAPT (0.73) MAPTALDH1A1LMNAMAPK1TDP1
SCHEMBL30001178 0.79 MAPT (0.73) MAPTALDH1A1LMNAMAPK1TDP1
SCHEMBL11071611 0.79 MAPT (0.63) ABCB1MAPTALDH1A1LMNAMAPK1
SCHEMBL11071604 0.79 MAPT (0.65) ABCB1MAPTALDH1A1LMNAMAPK1

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