SCHEMBL7537679

SCHEMBL7537679

Cc1ccc(C)c(N2CCN(C3Cc4cc([N+](=O)[O-])ccc4CC3O)CC2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 2/20 0.55
KMT2A Q03164 7/20 0.53
MEN1 O00255 6/20 0.53
HTR1A P08908 1/20 0.45
ALDH1A1 P00352 4/20 0.43
RAB9A P51151 2/20 0.43
PAX8 Q06710 2/20 0.43
RECQL P46063 1/20 0.43
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
NFKB1 P19838 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL7538963 1.00 SLC18A3 (0.55) SLC18A3KMT2AMEN1HTR1AALDH1A1
SCHEMBL7537678 1.00 SLC18A3 (0.55) SLC18A3KMT2AMEN1HTR1AALDH1A1
SCHEMBL7538957 1.00 SLC18A3 (0.55) SLC18A3KMT2AMEN1HTR1AALDH1A1
SCHEMBL7541826 0.81 SLC18A3 (0.60) SLC18A3KMT2AMEN1ALDH1A1MAPT
SCHEMBL7536876 0.81 SLC18A3 (0.60) SLC18A3KMT2AMEN1ALDH1A1MAPT
SCHEMBL7537244 0.81 SLC18A3 (0.60) SLC18A3KMT2AMEN1ALDH1A1MAPT
SCHEMBL7537232 0.81 SLC18A3 (0.60) SLC18A3KMT2AMEN1ALDH1A1MAPT
SCHEMBL7536879 0.81 SLC18A3 (0.60) SLC18A3KMT2AMEN1ALDH1A1MAPT
SCHEMBL7537234 0.81 SLC18A3 (0.60) SLC18A3KMT2AMEN1ALDH1A1MAPT
SCHEMBL7536882 0.81 SLC18A3 (0.60) SLC18A3KMT2AMEN1ALDH1A1MAPT

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
EP-1205473-A1 VESAMICOL PIPERAZINE DERIVATIVES AND DRUGS CONTAINING THE SAME DAIICHI RADIOISOTOPE LABORATORIES, LTD. (JP) 2002-05-15 EP disclosed