SCHEMBL7735984

SCHEMBL7735984

CCNC1CCN(CC(=O)Nc2ccc(C3CCCCC3)cc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.67
HPGD P15428 2/20 0.67
NPC1 O15118 1/20 0.67
USP2 O75604 1/20 0.67
NPSR1 Q6W5P4 1/20 0.54
RAD52 P43351 2/20 0.53
DRD4 P21917 4/20 0.53
DRD2 P14416 3/20 0.53
DRD3 P35462 3/20 0.53
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
RORC P51449 1/20 0.49
KDM4E B2RXH2 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.49
GFER P55789 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MITF O75030 1/20 0.49
KLF5 Q13887 1/20 0.49

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
SCHEMBL7738147 0.85 ALDH1A1 (0.81) ALDH1A1HPGDNPC1USP2RAD52
SCHEMBL7736310 0.82 ALDH1A1 (0.61) ALDH1A1HPGDNPC1USP2NPSR1
SCHEMBL7735766 0.81 SMN1; SMN2 (0.64) ALDH1A1HPGDNPC1USP2NPSR1
SCHEMBL7738167 0.81 ALDH1A1 (1.00) ALDH1A1HPGDNPC1USP2MAPK1
SCHEMBL3305614 0.79 ALDH1A1 (0.61) ALDH1A1HPGDNPC1USP2NPSR1
SCHEMBL1181160 0.78 ALDH1A1 (0.59) ALDH1A1HPGDNPC1USP2NPSR1
SCHEMBL7735928 0.77 ALDH1A1 (0.71) ALDH1A1HPGDNPC1USP2RAD52
SCHEMBL7736314 0.76 ALDH1A1 (0.62) ALDH1A1HPGDNPC1USP2DRD4
SCHEMBL8155606 0.76 SMN1; SMN2 (0.81) ALDH1A1HPGDNPC1USP2DRD4
SCHEMBL8140676 0.75 ALDH1A1 (0.58) ALDH1A1HPGDNPC1USP2DRD4

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
US-6410792-B1 OBESITY DISEASES BAYER CORPORATION 2002-06-25 US disclosed