SCHEMBL8944843

SCHEMBL8944843

CCOC(=O)C1CN(C)CCN1Cc1ccccc1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.57
KDM4E B2RXH2 5/20 0.57
MAPK1 P28482 3/20 0.47
TSHR P16473 2/20 0.47
RECQL P46063 1/20 0.47
TDP1 Q9NUW8 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAPT P10636 2/20 0.44
GAA P10253 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPFFR1 Q9GZQ6 1/20 0.44
NPFFR2 Q9Y5X5 1/20 0.44
ATM Q13315 1/20 0.43

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 0.88 ALDH1A1 (0.67) ALDH1A1KDM4EMAPK1TSHRRECQL
SCHEMBL8944884 0.88 ALDH1A1 (0.57) ALDH1A1KDM4EMAPK1TSHRRECQL
SCHEMBL8944705 0.87 TSHR (0.56) ALDH1A1KDM4EMAPK1TSHRRECQL
SCHEMBL3306018 0.85 MEN1 (0.54) ALDH1A1KDM4ETSHRSMN1; SMN2MEN1
SCHEMBL8944874 0.81 ALDH1A1 (0.54) ALDH1A1KDM4EMAPK1TSHRRECQL
SCHEMBL8944631 0.79 ALDH1A1 (0.67) ALDH1A1KDM4EMAPK1TSHRTDP1
SCHEMBL8944771 0.77 P2RX7 (0.48) ALDH1A1KDM4ETSHRGAACYP1A2
SCHEMBL8944618 0.77 P2RX7 (0.48) ALDH1A1TSHRGAACYP1A2CYP3A4
SCHEMBL27628327 0.77 ALDH1A1 (0.48) ALDH1A1TSHRSMN1; SMN2MAPTMEN1
SCHEMBL3309475 0.73 MEN1 (0.54) ALDH1A1KDM4ETSHRSMN1; SMN2GAA

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