SCHEMBL5793348

SCHEMBL5793348

COc1ccc(C2CCCCN2CCNc2ccc(Cl)c(Cl)c2)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
SMN1; SMN2 Q16637 5/20 0.46
EPHA2 P29317 7/20 0.43
KDR P35968 7/20 0.43
EPHB4 P54760 6/20 0.43
ERBB2 P04626 4/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
GAA P10253 1/20 0.42
ALDH1A1 P00352 3/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41

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
SCHEMBL5793764 0.94 MAPT (0.46) MAPTSMN1; SMN2MEN1KMT2AGAA
SCHEMBL5796566 0.94 MAPT (0.46) MAPTSMN1; SMN2MEN1KMT2AGAA
SCHEMBL5796795 0.92 MAPT (0.45) MAPTSMN1; SMN2EPHA2KDREPHB4
SCHEMBL5794585 0.89 SMN1; SMN2 (0.44) MAPTSMN1; SMN2MEN1KMT2AGAA
SCHEMBL5794961 0.87 SMN1; SMN2 (0.45) MAPTSMN1; SMN2MEN1KMT2AGAA
SCHEMBL5796898 0.84 UTS2R (0.42) MAPTSMN1; SMN2MEN1KMT2AGAA
SCHEMBL5806244 0.84 SMN1; SMN2 (0.43) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL5793771 0.82 SMN1; SMN2 (0.41) MAPTSMN1; SMN2MEN1KMT2AGAA
SCHEMBL5795178 0.76 SMN1; SMN2 (0.54) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL5820332 0.76 LMNA (0.54) MAPTSMN1; SMN2MEN1KMT2AGAA

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