SCHEMBL8944641

SCHEMBL8944641

CCOC(=O)C1CN(Cc2ccccc2Cl)CCN1Cc1ccccc1Cl

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.67
KDM4E B2RXH2 7/20 0.67
SMN1; SMN2 Q16637 1/20 0.53
MAPK1 P28482 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
TDP1 Q9NUW8 2/20 0.50
ATM Q13315 2/20 0.48
TSHR P16473 2/20 0.47
RECQL P46063 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
RAB9A P51151 1/20 0.45
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL8944884 0.92 ALDH1A1 (0.57) ALDH1A1KDM4ESMN1; SMN2MAPK1NPSR1
SCHEMBL8944631 0.88 ALDH1A1 (0.67) ALDH1A1KDM4ESMN1; SMN2MAPK1NPSR1
SCHEMBL8944843 0.88 ALDH1A1 (0.57) ALDH1A1KDM4ESMN1; SMN2MAPK1NPSR1
SCHEMBL124103 0.83 L3MBTL1 (0.55) ALDH1A1KDM4ESMN1; SMN2ATML3MBTL1
Hydrochloric Acid SCHEMBL2858521 0.82 L3MBTL1 (0.54) ALDH1A1KDM4ESMN1; SMN2ATML3MBTL1
SCHEMBL8944874 0.81 ALDH1A1 (0.54) ALDH1A1KDM4ESMN1; SMN2MAPK1ATM
SCHEMBL9204175 0.78 ALDH1A1 (0.65) ALDH1A1KDM4ESMN1; SMN2MAPK1NPSR1
SCHEMBL2863422 0.76 L3MBTL1 (0.58) ALDH1A1KDM4ESMN1; SMN2ATML3MBTL1
SCHEMBL8944705 0.76 TSHR (0.56) ALDH1A1KDM4ESMN1; SMN2MAPK1TDP1
SCHEMBL9581725 0.73 L3MBTL1 (0.55) ALDH1A1KDM4EATML3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0638568-B1 Substituted piperazines, their process of preparation and the pharmaceutical compositions containing them ADIR (FR) 1996-10-09 EP disclosed
US-5500426-A ADMINISTERED TO IMPROVE GLUCOSE TOLERANCE ADIR ET COMPAGNIE (FR) 1996-03-19 US disclosed
US-5492912-A IMPROVES GLUCOSE TOLERANCE ADIR ET COMPAGNIE (FR) 1996-02-20 US disclosed
EP-0638568-A1 Substituted piperazines, their process of preparation and the pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1995-02-15 EP disclosed