SCHEMBL6935744

SCHEMBL6935744

COc1ccccc1C1CNCCN1CCN(C(=O)c1ccsc1)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.36
SNCA P37840 1/20 0.34
MAPT P10636 6/20 0.34
ALDH1A1 P00352 3/20 0.34
MAPK1 P28482 2/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
BRD1 O95696 1/20 0.33
BRPF1 P55201 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
PKM P14618 1/20 0.32
BLM P54132 1/20 0.32
KMT2A Q03164 1/20 0.32
MBTPS1 Q14703 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL6934266 0.79 HTR1A (0.59) HTR1AALDH1A1MEN1BLMKMT2A
SCHEMBL5915126 0.68 DRD2 (0.51) HTR1AMAPTHTR2AHTR2CHTR2B
SCHEMBL2429178 0.68 HTR1A (0.51) HTR1AALDH1A1MEN1BLMKMT2A
SCHEMBL7040218 0.67 HTR1A (0.61) HTR1AHTR2AHTR2BMEN1BLM
SCHEMBL7734622 0.66 HTR6 (0.39) MAPTALDH1A1HTR2AHTR2CHTR2B
SCHEMBL15210114 0.66 PKM (0.40) MAPTALDH1A1HTR2AHTR2CHTR2B
SCHEMBL6933895 0.65 HTR1A (0.58) HTR1AALDH1A1MEN1BLMKMT2A
SCHEMBL9527372 0.65 HTR2C (0.46) MAPTHTR2AHTR2CHTR2B
SCHEMBL6930437 0.65 HTR1A (0.58) HTR1AMAPTALDH1A1MEN1BLM
SCHEMBL6930463 0.64 HTR1A (0.51) HTR1AALDH1A1MEN1BLMKMT2A

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-1000047-B1 1-(N-PHENYLAMINOALKYL)-PIPERAZINE DERIVATIVES SUBSTITUTED AT POSITION 2 OF THE PHENYL RING RECORDATI CHEM PHARM (CH) 2003-12-17 EP disclosed