SCHEMBL8710932

SCHEMBL8710932

CC(=O)Nc1cccc(C(=O)N(CCN2CCC(C(=O)c3ccc(F)cc3)CC2)c2ccccc2)c1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
HTR1F P30939 1/20 0.53
LMNA P02545 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ACHE P22303 1/20 0.49
KDM4E B2RXH2 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
HTR2A P28223 1/20 0.48
HSD11B1 P28845 1/20 0.46

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
SCHEMBL8716567 0.96 MEN1 (0.56) MEN1KMT2AHTR1FLMNASMN1; SMN2
Fumaric Acid SCHEMBL9233858 0.96 MEN1 (0.51) MEN1KMT2AHTR1FLMNASMN1; SMN2
Fumaric Acid SCHEMBL9233869 0.96 MEN1 (0.51) MEN1KMT2AHTR1FLMNASMN1; SMN2
Fumaric Acid SCHEMBL8712490 0.93 MEN1 (0.51) MEN1KMT2AHTR1FLMNASMN1; SMN2
Fumaric Acid SCHEMBL8712491 0.93 MEN1 (0.51) MEN1KMT2AHTR1FLMNASMN1; SMN2
SCHEMBL8711150 0.93 MEN1 (0.53) MEN1KMT2AHTR1FLMNASMN1; SMN2
SCHEMBL8711420 0.91 SMN1; SMN2 (0.56) MEN1KMT2ALMNASMN1; SMN2ACHE
Fumaric Acid SCHEMBL9230021 0.91 MEN1 (0.49) MEN1KMT2AHTR1FLMNASMN1; SMN2
Fumaric Acid SCHEMBL9230029 0.91 MEN1 (0.49) MEN1KMT2AHTR1FLMNASMN1; SMN2
SCHEMBL8710697 0.90 SMN1; SMN2 (0.51) MEN1KMT2AHTR1FLMNASMN1; SMN2

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-5728835-A HYPOTENSIVE AGENTS; ANTIISCHEMIC AGENTS TOA EIYO, LTD. (JP) 1998-03-17 US disclosed
EP-0661266-A1 Substituted cyclic amine compounds as 5HT2 antagonists TOA EIYO LTD. (JP) 1995-07-05 EP disclosed