SCHEMBL8760113

SCHEMBL8760113

O=CC(Cl)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 2/20 0.56
POLB P06746 2/20 0.56
MAPT P10636 5/20 0.55
ALDH1A1 P00352 3/20 0.53
ADRB1 P08588 1/20 0.53
LMNA P02545 1/20 0.51
GAA P10253 1/20 0.49
AKR1C3 P42330 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL27583942 0.82 SIRT6 (0.60) SIRT6POLBMAPTALDH1A1ADRB1
SCHEMBL6151230 0.80 SIRT6 (0.81) SIRT6POLBMAPTALDH1A1ADRB1
SCHEMBL15271381 0.80 SIRT6 (0.81) SIRT6POLBMAPTALDH1A1ADRB1
SCHEMBL4013778 0.80 HTR3E (0.46) POLBMAPTALDH1A1ADRB1LMNA
SCHEMBL374834 0.78 SIRT6 (0.68) SIRT6POLBMAPTALDH1A1ADRB1
SCHEMBL4014691 0.78 MAPT (0.49) POLBMAPTALDH1A1LMNAGAA
SCHEMBL4507720 0.76 SIRT6 (0.65) SIRT6POLBMAPTALDH1A1ADRB1
SCHEMBL1646512 0.76 SIRT6 (0.65) SIRT6POLBMAPTALDH1A1ADRB1
SCHEMBL27591247 0.76 SIRT6 (0.52) SIRT6POLBMAPTALDH1A1ADRB1
SCHEMBL1989595 0.76 SIRT6 (0.64) SIRT6POLBMAPTALDH1A1ADRB1

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
EP-0773937-A1 NOVEL ARYL PIPERAZINE-DERIVED PIPERAZIDE DERIVATIVES, METHODS FOR THEIR PREPARATION, THEIR USE AS DRUGS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME PIERRE FABRE MEDICAMENT (FR) 1997-05-21 EP disclosed
WO-1996002525-A1 NOVEL ARYL PIPERAZINE-DERIVED PIPERAZIDE DERIVATIVES, METHODS FOR THEIR PREPARATION, THEIR USE AS DRUGS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME PIERRE FABRE MEDICAMENT (FR) 1996-02-01 WO disclosed