SCHEMBL3838189

SCHEMBL3838189

CC(C(=O)c1ccccc1)N1CCN(CC(O)c2ccccc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.61
▸ MEN1 O00255 3/20 0.61
▸ OPRM1 P35372 1/20 0.61
▸ OPRD1 P41143 1/20 0.61
▸ GAA P10253 1/20 0.58
▸ KDM4E B2RXH2 2/20 0.54
▸ IGF1R P08069 1/20 0.53
▸ ALDH1A1 P00352 3/20 0.53
▸ MITF O75030 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ GFER P55789 1/20 0.50
▸ PAX8 Q06710 1/20 0.50
▸ ATM Q13315 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ PKM P14618 1/20 0.49
▸ MC4R P32245 4/20 0.48
▸ MC1R Q01726 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ HDAC4 P56524 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
SCHEMBL4468315 0.83 KMT2A (0.71) KMT2AMEN1OPRM1OPRD1GAA
SCHEMBL4477437 0.83 KMT2A (0.71) KMT2AMEN1OPRM1OPRD1GAA
SCHEMBL4466517 0.83 KMT2A (0.71) KMT2AMEN1OPRM1OPRD1GAA
SCHEMBL4486265 0.83 KMT2A (0.71) KMT2AMEN1OPRM1OPRD1GAA
SCHEMBL4474689 0.83 KMT2A (0.71) KMT2AMEN1OPRM1OPRD1GAA
SCHEMBL4818799 0.81 CYP2D6 (0.67) OPRM1OPRD1GAAKDM4EALDH1A1
SCHEMBL18704990 0.81 KMT2A (0.73) KMT2AMEN1OPRM1OPRD1GAA
Acetic Acid SCHEMBL9325415 0.81 GAA (0.75) KMT2AMEN1OPRM1OPRD1GAA
SCHEMBL4872366 0.79 ALDH1A1 (0.57) KMT2AMEN1GAAKDM4EALDH1A1
SCHEMBL10746494 0.79 GAA (0.82) KMT2AMEN1OPRM1OPRD1GAA

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
EP-1553092-B1 ARALKYL FORMYL-ALKYL PIPERAZINE DERIVATIVES AND THEIR USES AS CEREBRAL NERVE PROTECTIVE AGENT SHANGHAI INST PHARM INDUSTRY (CN) 2009-11-04 — — EP claimed
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