SCHEMBL8944884

SCHEMBL8944884

CCCN1CCN(Cc2ccccc2Cl)C(C(=O)OCC)C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.57
KDM4E B2RXH2 6/20 0.57
SMN1; SMN2 Q16637 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
MAPK1 P28482 2/20 0.44
TSHR P16473 2/20 0.44
RECQL P46063 1/20 0.44
NPFFR1 Q9GZQ6 1/20 0.44
NPFFR2 Q9Y5X5 1/20 0.44
ATM Q13315 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
P2RX7 Q99572 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
POLB P06746 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL8944641 0.92 ALDH1A1 (0.67) ALDH1A1KDM4ESMN1; SMN2TDP1MAPK1
SCHEMBL8944843 0.88 ALDH1A1 (0.57) ALDH1A1KDM4ESMN1; SMN2TDP1MAPK1
SCHEMBL8944631 0.83 ALDH1A1 (0.67) ALDH1A1KDM4ESMN1; SMN2TDP1MAPK1
SCHEMBL124103 0.78 L3MBTL1 (0.55) ALDH1A1KDM4ESMN1; SMN2ATMMEN1
SCHEMBL8944874 0.78 ALDH1A1 (0.54) ALDH1A1KDM4ESMN1; SMN2MAPK1TSHR
Hydrochloric Acid SCHEMBL2858521 0.77 L3MBTL1 (0.54) ALDH1A1KDM4ESMN1; SMN2ATMMEN1
SCHEMBL8944705 0.76 TSHR (0.56) ALDH1A1KDM4ESMN1; SMN2TDP1MAPK1
SCHEMBL3306018 0.73 MEN1 (0.54) ALDH1A1KDM4ESMN1; SMN2TSHRATM
SCHEMBL5229585 0.72 LTA4H (0.54) KDM4EMEN1KMT2APOLB
SCHEMBL2863422 0.71 L3MBTL1 (0.58) ALDH1A1KDM4ESMN1; SMN2ATMMEN1

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