SCHEMBL8944705

SCHEMBL8944705

CCOC(=O)C1CN(C)CCN1Cc1ccc(Cl)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
MAPK1 P28482 1/20 0.56
RECQL P46063 1/20 0.56
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 3/20 0.45
POLB P06746 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
P2RX7 Q99572 6/20 0.44
MAPT P10636 1/20 0.42
DPP4 P27487 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
SCHEMBL8944843 0.87 ALDH1A1 (0.57) TSHRMAPK1RECQLKDM4EALDH1A1
SCHEMBL3306018 0.80 MEN1 (0.54) TSHRKDM4EALDH1A1POLBSMN1; SMN2
SCHEMBL8944641 0.76 ALDH1A1 (0.67) TSHRMAPK1RECQLKDM4EALDH1A1
SCHEMBL8944884 0.76 ALDH1A1 (0.57) TSHRMAPK1RECQLKDM4EALDH1A1
SCHEMBL27628327 0.71 ALDH1A1 (0.48) TSHRALDH1A1POLBSMN1; SMN2MAPT
SCHEMBL8877689 0.71 TSHR (0.42) TSHRMAPK1RECQLALDH1A1POLB
SCHEMBL8877593 0.71 TSHR (0.42) TSHRMAPK1RECQLKDM4EALDH1A1
SCHEMBL9727236 0.71 TSHR (0.57) TSHRMAPK1RECQLKDM4EALDH1A1
SCHEMBL8944621 0.71 KDM4E (0.44) KDM4EALDH1A1POLBTDP1LMNA
SCHEMBL8876826 0.70 TSHR (0.46) TSHRMAPK1RECQLALDH1A1POLB

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