SCHEMBL7294688

SCHEMBL7294688

O=[N+]([O-])c1ccc(N2CCC(N3CCC(O)(c4ccc(Cl)cc4)CC3)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 11/20 0.52
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
SLC18A3 Q16572 1/20 0.46
MAPT P10636 3/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
ENPP2 Q13822 1/20 0.44

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
SCHEMBL7294833 0.84 KMT2A (0.61) KMT2AMEN1MAPTALDH1A1GAA
SCHEMBL22489080 0.78 MEN1 (0.64) KMT2AMEN1MAPTALDH1A1
SCHEMBL4336239 0.76 L3MBTL3 (0.69) KMT2AMEN1MAPTALDH1A1
SCHEMBL3574460 0.75 MAPT (0.71) KMT2AMEN1MAPTALDH1A1
SCHEMBL77340 0.75 MAPT (0.71) KMT2AMEN1MAPTALDH1A1
SCHEMBL30984953 0.74 SIRT6 (0.58) KMT2AMEN1MAPTALDH1A1
SCHEMBL521556 0.74 KMT2A (0.64) KMT2AMEN1MAPTALDH1A1GAA
SCHEMBL1046692 0.73 MEN1 (0.86) KMT2AMEN1MAPTALDH1A1GAA
SCHEMBL4191910 0.73 SIRT6 (0.72) KMT2AMEN1MAPTALDH1A1
SCHEMBL16206952 0.73 SIRT6 (0.72) KMT2AMEN1MAPTALDH1A1

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-0503411-B1 Substituted N-phenylpiperidines and medicaments thereof BASF AG (DE) 1995-11-29 EP disclosed
US-5296485-A Substituted N-phenylpiperidines and drugs therefrom BASF AKTIENGESELLSCHAFT (DE) 1994-03-22 US disclosed