SCHEMBL5794482

SCHEMBL5794482

COc1ccc(C2CCCCN2CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(C)c1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.56
LMNA P02545 9/20 0.56
ALDH1A1 P00352 5/20 0.56
HTT P42858 4/20 0.56
MAPK1 P28482 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
NPSR1 Q6W5P4 2/20 0.56
USP2 O75604 2/20 0.56
CYP3A4 P08684 2/20 0.56
CYP2D6 P10635 2/20 0.56
CYP2C19 P33261 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.55
RXFP1 Q9HBX9 1/20 0.49
GAA P10253 3/20 0.48
KDM4E B2RXH2 1/20 0.47
TP53 P04637 2/20 0.47

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
SCHEMBL5796637 0.87 LMNA (0.59) MAPTLMNAALDH1A1HTTMAPK1
SCHEMBL5796876 0.85 MAPT (0.42) MAPTLMNAALDH1A1HTTMAPK1
SCHEMBL5820332 0.80 LMNA (0.54) MAPTLMNAALDH1A1HTTMAPK1
SCHEMBL5793624 0.78 HCRTR1 (0.40) KDM4EHCRTR1
SCHEMBL5809564 0.76 NOTUM (0.39) MAPTLMNAALDH1A1HTTMAPK1
SCHEMBL5816620 0.76 TSHR (0.39) MAPTLMNAALDH1A1HTTMAPK1
SCHEMBL5796981 0.76 NOTUM (0.38) MAPTLMNAALDH1A1HTTMAPK1
SCHEMBL5795178 0.75 SMN1; SMN2 (0.54) MAPTLMNAALDH1A1HTTL3MBTL1
SCHEMBL5805401 0.75 NCOA1 (0.51) MAPTLMNAALDH1A1HTTMAPK1
SCHEMBL5808924 0.75 LMNA (0.47) MAPTLMNAALDH1A1HTTMAPK1

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
WO-2006015279-A1 HETEROCYCLIC DIAMINE COMPOUNDS AS LIGANDS OF THE MELANIN CONCENTRATING HORMONE RECEPTOR USEFUL FOR THE TREATMENT OF OBESITY, DIABETES, EATING AND SEXUAL DISORDERS NEUROGEN CORPORATION (US) 2006-02-09 WO claimed