SCHEMBL11052297

SCHEMBL11052297

CCOC(=O)C1CN(C)CC(c2ccccc2Cc2ccccc2)C1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
POLB P06746 1/20 0.41
LTA4H P09960 1/20 0.40
SCN1A P35498 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN3A Q9NY46 1/20 0.39
ALDH1A1 P00352 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
HRH1 P35367 1/20 0.38
PKM P14618 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL11728121 0.91 ALDH1A1 (0.41) MEN1KMT2APOLBLTA4HALDH1A1
SCHEMBL512197 0.81 TSHR (0.46) MEN1KMT2AALDH1A1SMN1; SMN2CHRM2
Hydrochloric Acid SCHEMBL1617512 0.80 TSHR (0.45) MEN1KMT2AALDH1A1SMN1; SMN2CHRM2
SCHEMBL361085 0.72 OPRM1 (0.40) MEN1KMT2AALDH1A1
SCHEMBL11630796 0.71 MEN1 (0.44) MEN1KMT2APOLBLTA4HSCN1A
SCHEMBL11052627 0.70 SCN1A (0.41) SCN1ASCN2ASCN3ASMN1; SMN2HRH1
SCHEMBL183598 0.68 ALDH1A1 (0.50) MEN1KMT2AALDH1A1CHRM2CHRM4
SCHEMBL13329654 0.66 ALDH1A1 (0.48) MEN1KMT2AALDH1A1CHRM2CHRM4
SCHEMBL360491 0.66 TSHR (0.50) MEN1KMT2AALDH1A1PKMTSHR
SCHEMBL29037096 0.66 CHRM2 (0.44) MEN1KMT2AALDH1A1CHRM2CHRM4

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
US-4447437-A Pharmaceutical composition and method for treatment of peptic ulcer MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1984-05-08 US disclosed
US-4002632-A ANTIDEPRESSANTS AKZONA INCORPORATED (US) 1977-01-11 US disclosed