SCHEMBL7295263

SCHEMBL7295263

O=[N+]([O-])c1ccc(N2CCC(N3CC=C(c4ccc(F)cc4)CC3)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.56
▸ MEN1 O00255 5/20 0.48
▸ KMT2A Q03164 5/20 0.48
▸ MAPT P10636 8/20 0.47
▸ ALDH1A1 P00352 5/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ GAA P10253 2/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ LMNA P02545 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ HTT P42858 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ TSHR P16473 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ ENPP2 Q13822 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
SCHEMBL7299952 0.82 POLB (0.75) POLBMEN1KMT2AMAPTALDH1A1
SCHEMBL7300653 0.81 ALDH1A1 (0.55) POLBMEN1KMT2AMAPTALDH1A1
SCHEMBL20919593 0.76 CYP1B1 (0.38) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL12005574 0.75 POLB (1.00) POLBMEN1KMT2AMAPTALDH1A1
SCHEMBL4336239 0.74 L3MBTL3 (0.69) POLBMEN1KMT2AMAPTALDH1A1
SCHEMBL3574460 0.73 MAPT (0.71) POLBMEN1KMT2AMAPTALDH1A1
SCHEMBL77340 0.73 MAPT (0.71) POLBMEN1KMT2AMAPTALDH1A1
SCHEMBL10035919 0.72 MAPT (0.51) POLBMEN1KMT2AMAPTALDH1A1
SCHEMBL521556 0.72 KMT2A (0.64) POLBMEN1KMT2AMAPTALDH1A1
SCHEMBL1046692 0.71 MEN1 (0.86) POLBMEN1KMT2AMAPTALDH1A1

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
Send feedback