SCHEMBL5796795

SCHEMBL5796795

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

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
SMN1; SMN2 Q16637 6/20 0.45
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 3/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
GAA P10253 2/20 0.39
MAPK1 P28482 2/20 0.38
ERBB2 P04626 1/20 0.38
EPHA2 P29317 1/20 0.38
KDR P35968 1/20 0.38
EPHB4 P54760 1/20 0.38

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
SCHEMBL5796566 0.92 MAPT (0.46) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL5793764 0.92 MAPT (0.46) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL5793348 0.92 MAPT (0.48) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL5794961 0.91 SMN1; SMN2 (0.45) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL5794585 0.88 SMN1; SMN2 (0.44) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL5793771 0.85 SMN1; SMN2 (0.41) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL5796898 0.82 UTS2R (0.42) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL5806244 0.82 SMN1; SMN2 (0.43) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL5795178 0.74 SMN1; SMN2 (0.54) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL5820332 0.74 LMNA (0.54) MAPTSMN1; SMN2MEN1KMT2AALDH1A1

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