SCHEMBL7302022

SCHEMBL7302022

O=[N+]([O-])c1ccc(N2CCC(N3CCc4ccccc4C3)CC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.67
KMT2A Q03164 5/20 0.67
HPGD P15428 1/20 0.49
SIRT6 Q8N6T7 2/20 0.49
MAPT P10636 5/20 0.48
POLB P06746 2/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
RAB9A P51151 1/20 0.46
GAA P10253 1/20 0.46
ALDH1A1 P00352 2/20 0.46
ADRB1 P08588 1/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL7647926 0.82 KMT2A (0.55) MEN1KMT2AHPGDPOLBGAA
SCHEMBL6609282 0.81 MEN1 (1.00) MEN1KMT2AHPGDSIRT6MAPT
SCHEMBL4336239 0.78 L3MBTL3 (0.69) MEN1KMT2ASIRT6MAPTPOLB
SCHEMBL4191910 0.78 SIRT6 (0.72) MEN1KMT2ASIRT6MAPTPOLB
SCHEMBL77340 0.77 MAPT (0.71) MEN1KMT2ASIRT6MAPTPOLB
SCHEMBL3574460 0.77 MAPT (0.71) MEN1KMT2ASIRT6MAPTPOLB
SCHEMBL7301802 0.76 TRPV6 (0.59) MEN1KMT2AMAPTPOLBCYP2C9
SCHEMBL521556 0.76 KMT2A (0.64) MEN1KMT2ASIRT6MAPTPOLB
SCHEMBL17797589 0.76 PNMT (0.47) MEN1KMT2AMAPTPOLBRAB9A
SCHEMBL30612409 0.76 AKR1C3 (0.45) MEN1KMT2AMAPTPOLBRAB9A

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