SCHEMBL7293241

SCHEMBL7293241

CCOC(OCC)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.62
ALDH1A1 P00352 4/20 0.55
LMNA P02545 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
SIRT6 Q8N6T7 2/20 0.52
HTT P42858 1/20 0.52
POLB P06746 2/20 0.49
ADRB1 P08588 1/20 0.49
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL27194288 0.86 MAPT (0.61) MAPTALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL22171340 0.81 SIRT6 (0.59) MAPTALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL5314836 0.81 MAPT (0.64) MAPTALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL29103 0.80 MAPT (0.60) MAPTALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL27355 0.80 MAPT (0.60) MAPTALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL25189631 0.79 MEN1 (0.60) MAPTALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL594849 0.77 MAPT (0.66) MAPTALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL27774 0.76 MAPT (1.00) MAPTALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL6714560 0.76 MEN1 (0.73) MAPTALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL13114880 0.76 MAPT (0.65) MAPTALDH1A1LMNASMN1; SMN2MEN1

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 3 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
EP-0503411-A1 Substituted N-phenylpiperidines and medicaments thereof BASF Aktiengesellschaft (DE) 1992-09-16 EP disclosed