SCHEMBL5795178

SCHEMBL5795178

COc1cc(NC(=O)CN2CCCCC2c2ccc(OC)c(OC)c2)ccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.54
MAPT P10636 4/20 0.52
NPSR1 Q6W5P4 1/20 0.51
CRHBP P24387 1/20 0.51
CRHR2 Q13324 1/20 0.51
ALDH1A1 P00352 3/20 0.50
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.47
HTT P42858 1/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 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 0.89 LMNA (0.59) SMN1; SMN2MAPTNPSR1CRHBPCRHR2
SCHEMBL5793764 0.82 MAPT (0.46) SMN1; SMN2MAPTCRHBPCRHR2ALDH1A1
SCHEMBL5796566 0.82 MAPT (0.46) SMN1; SMN2MAPTCRHBPCRHR2ALDH1A1
SCHEMBL5820332 0.81 LMNA (0.54) SMN1; SMN2MAPTNPSR1CRHBPCRHR2
SCHEMBL5793348 0.76 MAPT (0.48) SMN1; SMN2MAPTCRHBPCRHR2ALDH1A1
SCHEMBL5794482 0.75 MAPT (0.56) SMN1; SMN2MAPTNPSR1ALDH1A1KMT2A
SCHEMBL5796795 0.74 MAPT (0.45) SMN1; SMN2MAPTCRHBPCRHR2ALDH1A1
SCHEMBL12125064 0.73 MAPK1 (0.53) SMN1; SMN2MAPTCRHBPCRHR2ALDH1A1
SCHEMBL5796674 0.73 MAPT (0.39) SMN1; SMN2MAPTALDH1A1KMT2AMEN1
SCHEMBL5794095 0.73 SMN1; SMN2 (0.42) SMN1; SMN2MAPTNPSR1ALDH1A1L3MBTL1

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
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
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 disclosed