SCHEMBL7855656

SCHEMBL7855656

CCCN(CCCN)C1CCC(C)CC1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 7/20 0.37
DRD2 P14416 5/20 0.37
DRD4 P21917 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
HTR1A P08908 1/20 0.33
FYN P06241 2/20 0.33

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
SCHEMBL14432505 0.86 DRD3 (0.44) DRD3DRD2DRD4HTR1AFYN
SCHEMBL7856630 0.84 DRD3 (0.39) DRD3DRD2DRD4MEN1KMT2A
SCHEMBL27826960 0.83 ADH1A (0.43) DRD3DRD2DRD4HTR1DHTR1B
SCHEMBL28832059 0.81 MEN1 (0.43) MEN1KMT2A
SCHEMBL8851207 0.80 DRD3 (0.36) DRD3DRD2DRD4HTR1DHTR1B
SCHEMBL8851211 0.80 SLC6A4 (0.43) DRD3DRD2DRD4
SCHEMBL12957024 0.79 SIGMAR1 (0.37) DRD3DRD2DRD4
SCHEMBL27445836 0.79 ADH1C (0.48) DRD3DRD2
SCHEMBL6973232 0.78 MEN1 (0.37) MEN1KMT2A
SCHEMBL3374356 0.78 DRD3 (0.44) DRD3DRD2DRD4HTR1AFYN

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-1144403-A1 SUBSTITUED PYRAZOLES AS P38 KINASE INHIBITORS G.D. SEARLE & CO. (US) 2001-10-17 EP disclosed
WO-2000031063-A1 SUBSTITUTED PYRAZOLES AS p38 KINASE INHIBITORS G.D. SEARLE & CO. (US) 2000-06-02 WO disclosed