SCHEMBL11552159

SCHEMBL11552159

COC(=O)Cc1ccc(OCC(O)C(N)C(C)C)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
ADRB2 P07550 2/20 0.48
ADRB1 P08588 2/20 0.48
CNR1 P21554 1/20 0.48
ADRA1D P25100 1/20 0.48
ADRA1A P35348 1/20 0.48
ADRA1B P35368 1/20 0.48
KDM4E B2RXH2 1/20 0.48
CYP1A2 P05177 1/20 0.48
GLA P06280 1/20 0.48
CYP3A4 P08684 1/20 0.48
TSHR P16473 1/20 0.48
NFKB1 P19838 1/20 0.48
THPO P40225 1/20 0.48
BLM P54132 1/20 0.48
PMP22 Q01453 1/20 0.48
ALDH1A1 P00352 3/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 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
SCHEMBL11024496 0.87 ADRB2 (0.62) LMNATDP1ADRB2ADRB1CNR1
SCHEMBL8405103 0.84 ALDH1A1 (0.51) LMNATDP1ADRB2ADRB1CNR1
SCHEMBL8402101 0.84 ALDH1A1 (0.51) LMNATDP1ADRB2ADRB1CNR1
SCHEMBL4751700 0.81 ALDH1A1 (0.54) LMNATDP1ADRB2ADRB1CNR1
SCHEMBL27296585 0.78 NPY5R (0.44) LMNATDP1ADRB2ADRB1CNR1
SCHEMBL8405959 0.78 NPY5R (0.44) LMNATDP1ADRB2ADRB1CNR1
SCHEMBL8406380 0.78 NPY5R (0.44) LMNATDP1ADRB2ADRB1CNR1
SCHEMBL9452308 0.78 TDP1 (0.49) LMNATDP1ADRB2ADRB1KDM4E
SCHEMBL27887827 0.77 FFAR1 (0.51) LMNATDP1ADRB2ADRB1CNR1
SCHEMBL11022591 0.77 CYP4F2 (0.51) ADRB2ADRB1CYP4F2CYP4A11

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
EP-0005142-A1 Phenylpiperazine derivatives, process for their preparation, intermediates for this purpose and medicaments containing such phenylpiperazine derivatives F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1979-11-14 EP disclosed