SCHEMBL9869377

SCHEMBL9869377

O=CN1CCN(CCOCc2cccc(Oc3ccccc3)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.49
▸ ALDH1A1 P00352 4/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ GAA P10253 3/20 0.48
▸ LTA4H P09960 2/20 0.48
▸ LMNA P02545 2/20 0.46
▸ TEAD3 Q99594 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ TRPV6 Q9H1D0 1/20 0.45
▸ FAAH O00519 2/20 0.44
▸ SIGMAR1 Q99720 1/20 0.43
▸ MGLL Q99685 1/20 0.43

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
Hydrochloric Acid SCHEMBL9646353 0.85 SIGMAR1 (0.58) KDM4EALDH1A1TDP1LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL9646857 0.82 LTA4H (0.51) KDM4EALDH1A1TDP1GAALTA4H
Hydrochloric Acid SCHEMBL9647699 0.82 HRH3 (0.57) KDM4EALDH1A1TDP1LTA4HLMNA
Hydrochloric Acid SCHEMBL9647708 0.82 HRH3 (0.57) KDM4EALDH1A1TDP1LTA4HLMNA
Hydrochloric Acid SCHEMBL9645004 0.80 SIGMAR1 (0.69) KDM4EALDH1A1SIGMAR1
SCHEMBL9646875 0.80 KDM4E (0.44) KDM4EALDH1A1TDP1GAALTA4H
Hydrochloric Acid SCHEMBL9644953 0.79 SIGMAR1 (0.52) KDM4EALDH1A1LMNASMN1; SMN2HTT
Hydrochloric Acid SCHEMBL9646922 0.79 KDM4E (0.44) KDM4EALDH1A1TDP1GAALTA4H
Hydrochloric Acid SCHEMBL9647738 0.79 SIGMAR1 (0.55) KDM4EALDH1A1TDP1LMNASMN1; SMN2
SCHEMBL9644965 0.79 FFAR4 (0.43) KDM4EALDH1A1GAALTA4HTEAD3

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
US-5051424-A Substituted aromatic compounds having an action on the central nervous system AKZO N.V. (NL) 1991-09-24 — — US disclosed
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