SCHEMBL462997

SCHEMBL462997

O=C(O)N1CCC(c2noc(COc3cnc(Cl)nc3)n2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 2/20 0.39
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
FFAR1 O14842 2/20 0.37
GPR119 Q8TDV5 1/20 0.37
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
SMPD1 P17405 1/20 0.34
ALOX5AP P20292 1/20 0.34

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
SCHEMBL461046 0.86 FAAH (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1118359 0.79 GPR119 (0.48) LDHAFFAR1GPR119SMN1; SMN2MAPT
SCHEMBL1118416 0.76 LDHA (0.45) LDHAHDAC3HDAC4HDAC1HDAC7
SCHEMBL1118422 0.76 LDHA (0.47) LDHAALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL1118168 0.75 LDHA (0.39) LDHAGPR119SMN1; SMN2CCR5
SCHEMBL2221443 0.72 CYP4F2 (0.44) GPR119
SCHEMBL1902669 0.70 LDHA (0.43) LDHAHDAC3HDAC4HDAC1HDAC7
SCHEMBL2933681 0.69 GPR119 (0.46) GPR119SMN1; SMN2
SCHEMBL19850513 0.68 GPR119 (0.49) GPR119ALDH1A1SMN1; SMN2MAPT
SCHEMBL2023091 0.68 TUBB4A (0.42) LDHASMN1; SMN2

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-2011147951-A1 CYCLOAMINO DERIVATIVES AS GPR119 ANTAGONISTS PROSIDION LIMITED (GB) 2011-12-01 WO disclosed