SCHEMBL8932385

SCHEMBL8932385

O=C(CCl)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.69
KMT2A Q03164 4/20 0.67
MEN1 O00255 3/20 0.67
ALDH1A1 P00352 8/20 0.66
SMN1; SMN2 Q16637 3/20 0.66
HTT P42858 2/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
TDP1 Q9NUW8 1/20 0.66
TP53 P04637 1/20 0.66
POLB P06746 4/20 0.64
ENPP2 Q13822 3/20 0.64
LMNA P02545 1/20 0.63
AKR1C3 P42330 1/20 0.62
CYP2C19 P33261 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62

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
SCHEMBL5707911 0.95 MAPT (0.63) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL1387486 0.85 MAPT (0.74) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL6602614 0.84 MAPT (0.67) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL3012718 0.83 AKR1C3 (0.67) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL13181103 0.83 MAPT (0.70) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL27783156 0.83 AKR1C3 (0.85) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL31406888 0.82 MAPT (0.64) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL3092444 0.82 KMT2A (0.67) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL13153237 0.82 MAPT (0.68) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL1393155 0.81 AKR1C3 (0.68) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996026936-A1 NOVEL CYCLIC AMINO-INDOLE PIPERAZINE DERIVATIVES, PREPARATION PROCESS AND UTILIZATION AS MEDICAMENTS PIERRE FABRE MEDICAMENT (FR) 1996-09-06 WO disclosed