SCHEMBL6972028

SCHEMBL6972028

NCCCN1CCC[C@H](CCc2ccc(F)cc2)C1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.64
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SLC6A2 P23975 3/20 0.44
SLC6A4 P31645 3/20 0.44
SLC6A3 Q01959 3/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
SCN5A Q14524 1/20 0.43
GAA P10253 1/20 0.43
HTR2A P28223 1/20 0.42
CYP2D6 P10635 1/20 0.42
CCR3 P51677 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
SCHEMBL7575797 0.87 CCR3 (0.53) MAOBHTR2ACYP2D6CCR3
SCHEMBL6333210 0.87 CCR3 (0.53) MAOBHTR2ACYP2D6CCR3
SCHEMBL6311179 0.81 MAOB (0.55) MAOBMEN1KMT2ASLC6A2SLC6A4
SCHEMBL9703008 0.79 MEN1 (0.49) MAOBMEN1KMT2A
Hydrochloric Acid SCHEMBL9555682 0.78 MEN1 (0.48) MAOBMEN1KMT2A
SCHEMBL6972033 0.73 SCN5A (0.41) SLC6A2SLC6A4SLC6A3SCN5AHTR2A
SCHEMBL7247710 0.73 CARM1 (0.61) MAOBSLC6A2SLC6A4SLC6A3CCR3
SCHEMBL6217711 0.72 PRMT3 (0.59) CCR3
SCHEMBL3600048 0.72 MAOB (0.48) MAOBMEN1KMT2ASLC6A2SLC6A4
SCHEMBL8325440 0.72 MAOB (0.51) MAOBMEN1KMT2AGAACYP2D6

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-1294690-A2 N-UREIDOALKYL-PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Pharma Company (US) 2003-03-26 EP disclosed
WO-2001098270-A2 N-UREIDOALKYL-PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-12-27 WO disclosed