SCHEMBL7995563

SCHEMBL7995563

COC(=O)c1cc(C(=O)NCCCN2CCOCC2)cc(-c2cc(Cl)ccc2Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.61
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
GAA P10253 1/20 0.53
ALDH1A1 P00352 3/20 0.52
HTR1A P08908 1/20 0.51
MAOA P21397 1/20 0.51
MAOB P27338 1/20 0.51
KCNH2 Q12809 1/20 0.51
CD274 Q9NZQ7 1/20 0.51
MAPK1 P28482 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL8007343 0.94 ALDH1A1 (0.58) LMNACYP2D6CYP2C9ALDH1A1HTR1A
Hydrochloric Acid SCHEMBL8007350 0.85 MEN1 (0.51) LMNACYP2D6CYP2C9GAAALDH1A1
Hydrochloric Acid SCHEMBL8007354 0.84 GAA (0.50) LMNACYP2D6CYP2C9GAAALDH1A1
SCHEMBL8007800 0.79 ADORA1 (0.47) GAAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8007345 0.78 CHRM3 (0.51)
SCHEMBL8664616 0.78 MAPK1 (0.47) LMNACYP2C9ALDH1A1MAPK1SMN1; SMN2
SCHEMBL8440888 0.77 LMNA (0.53) LMNACYP2D6CYP2C9ALDH1A1HTR1A
SCHEMBL8005080 0.77 KMT2A (0.51) LMNAALDH1A1MAOBMAPK1SMN1; SMN2
SCHEMBL7824081 0.77 LMNA (0.67) LMNACYP2D6CYP2C9GAAALDH1A1
Hydrochloric Acid SCHEMBL7995813 0.76 KMT2A (0.50) LMNAALDH1A1MAPK1SMN1; SMN2MEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6017917-A Guanidine derivatives FUJISAWA PHARAMCEUTICAL CO., LTD. (JP) 2000-01-25 US disclosed
EP-0876338-A1 GUANIDINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-11-11 EP disclosed
WO-1997025310-A1 GUANIDINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-07-17 WO disclosed