SCHEMBL11076871

SCHEMBL11076871

O=C(Cc1ccccc1)N1CCN(c2ccc(Cl)cc2)CC1

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.89
ATM Q13315 1/20 0.89
ME2 P23368 2/20 0.77
ME1 P48163 2/20 0.77
ME3 Q16798 2/20 0.77
MEN1 O00255 4/20 0.75
KMT2A Q03164 4/20 0.75
MAPT P10636 4/20 0.75
GRM5 P41594 1/20 0.70
HTR7 P34969 2/20 0.67
ALDH1A1 P00352 2/20 0.66
GPR183 P32249 1/20 0.65
HTR1A P08908 1/20 0.65
LMNA P02545 2/20 0.62
POLB P06746 1/20 0.62
AKR1C3 P42330 1/20 0.61
PKM P14618 1/20 0.60
ALOX12 P18054 1/20 0.60
NAMPT P43490 1/20 0.60
MAPK1 P28482 1/20 0.59

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
SCHEMBL6706289 0.89 ME2 (0.82) GFERATMME2ME1ME3
SCHEMBL10902216 0.87 GFER (0.78) GFERATMME2ME1ME3
SCHEMBL2767151 0.87 ME2 (1.00) GFERATMME2ME1ME3
SCHEMBL23244223 0.87 ME3 (1.00) GFERATMME2ME1ME3
SCHEMBL2824683 0.86 MAPT (1.00) GFERATMME2ME1ME3
SCHEMBL28924200 0.85 ME2 (0.76) GFERATMME2ME1ME3
SCHEMBL25047094 0.85 ME2 (0.76) GFERATMME2ME1ME3
SCHEMBL1906328 0.82 GRM5 (1.00) GFERATMMEN1KMT2AMAPT
SCHEMBL13149275 0.82 ALDH1A1 (0.77) GFERATMMEN1KMT2AHTR7
SCHEMBL10722408 0.82 HSD11B1 (0.77) GFERATMME2ME1ME3

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-4439606-A ANTICHOLESTEROL, ANTILIPEMIC AGENTS AMERICAN CYANAMID COMPANY (US) 1984-03-27 US disclosed
EP-0094498-A2 Antiatherosclerotic 1-piperazine derivatives AMERICAN CYANAMID COMPANY (US) 1983-11-23 EP disclosed