SCHEMBL13474010

SCHEMBL13474010

O=C(NC1CCC2CC3CC(CO)(C2)CC31)c1ccc(Oc2ccc(Cl)cn2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.41
HSD11B2 P80365 1/20 0.41
GABRA5 P31644 7/20 0.39
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HRH3 Q9Y5N1 3/20 0.37
RAB9A P51151 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
CASP3 P42574 1/20 0.37
KMT2A Q03164 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
ITGA5 P08648 1/20 0.37
KCNH2 Q12809 1/20 0.37
HPGDS O60760 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
LIPE Q05469 3/20 0.35

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
SCHEMBL14047188 0.87 POLB (0.39) HSD11B1GABRA5POLBSMN1; SMN2HRH3
SCHEMBL3334012 0.86 HSD11B1 (0.54) HSD11B1HSD11B2SMN1; SMN2RAB9AMEN1
SCHEMBL13366175 0.77 FAAH (0.38) HSD11B1HRH3MEN1NPC1KMT2A
SCHEMBL13474005 0.77 POLB (0.39) HSD11B1POLBSMN1; SMN2HRH3RAB9A
SCHEMBL14106036 0.75 NPC1 (0.51) SMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL3328670 0.74 HSD11B1 (0.51) HSD11B1RAB9AMEN1NPC1CASP3
SCHEMBL6303431 0.72 NPC1 (0.43) POLBSMN1; SMN2HRH3RAB9AMEN1
SCHEMBL6879266 0.71 CHRNA7 (0.67) HRH3MEN1KMT2AALDH1A1
SCHEMBL7709806 0.71 CHRNA7 (0.67) HRH3MEN1KMT2AALDH1A1
SCHEMBL12345369 0.71 MAPK1 (0.46) SMN1; SMN2RAB9ANPC1ALDH1A1

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
EP-2152081-B1 NOVEL COMPOUNDS HIGH POINT PHARMACEUTICALS LLC (US) 2012-10-24 EP disclosed
WO-2008127924-A1 NOVEL COMPOUNDS HIGH POINT PHARMACEUTICALS, LLC. (US) 2008-10-23 WO disclosed