SCHEMBL11518328

SCHEMBL11518328

S=C(NC1CC1)N1CCc2[nH]cnc2C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.45
ALDH1A1 P00352 5/20 0.44
HTT P42858 2/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
ADRA2A P08913 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
ADRA2C P18825 1/20 0.41
NFKB1 P19838 1/20 0.41
CYP2C19 P33261 1/20 0.41
THPO P40225 1/20 0.41
HRH4 Q9H3N8 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
CYP46A1 Q9Y6A2 1/20 0.41
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 3/20 0.39

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
SCHEMBL11517624 0.95 ALDH1A1 (0.51) MAPTALDH1A1HTTLMNASMN1; SMN2
SCHEMBL11515001 0.94 ALDH1A1 (0.53) MAPTALDH1A1HTTLMNASMN1; SMN2
SCHEMBL11516638 0.84 KDM4E (0.45) MAPTALDH1A1HTTKDM4EMAPK1
SCHEMBL11516079 0.80 LMNA (0.45) MAPTALDH1A1LMNASMN1; SMN2HRH4
SCHEMBL11516180 0.79 POLB (0.51) MAPTALDH1A1HTTSMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL11516834 0.78 LMNA (0.44) MAPTALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL11514380 0.76 KMT2A (0.48) MAPTALDH1A1LMNASMN1; SMN2CYP1A2
SCHEMBL11518462 0.75 MAPT (0.43) MAPTALDH1A1LMNASMN1; SMN2CYP2C9
SCHEMBL1994788 0.72 NAMPT (0.38) ADRA2AADRA2CHRH4HRH3KDM4E
SCHEMBL11518308 0.71 TMPRSS2 (0.42) LMNAADRA2ACYP2D6

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-4141899-A ANTIULCER, ANTISECRETORY SOCIETA' FARMACEUTICI ITALIA S.P.A. (IT) 1979-02-27 US claimed
US-4141899-A ANTIULCER, ANTISECRETORY SOCIETA' FARMACEUTICI ITALIA S.P.A. (IT) 1979-02-27 US disclosed