SCHEMBL8713652

SCHEMBL8713652

CC(=O)Nc1ccc(C(=O)N(CCN2CCC(C(=O)c3ccc(F)cc3)CC2)c2cccc(O)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
LMNA P02545 2/20 0.49
HTT P42858 1/20 0.49
ALDH1A1 P00352 1/20 0.48
HTR2A P28223 2/20 0.45
HTR2C P28335 2/20 0.45
HTR7 P34969 2/20 0.45
HTR6 P50406 2/20 0.45
ACHE P22303 1/20 0.44
HTR1F P30939 1/20 0.44
HSD11B1 P28845 1/20 0.44

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
Fumaric Acid SCHEMBL8712605 0.95 MEN1 (0.45) MEN1KMT2ASMN1; SMN2LMNAHTT
Fumaric Acid SCHEMBL8712608 0.95 MEN1 (0.45) MEN1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL8710697 0.93 SMN1; SMN2 (0.51) MEN1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL8710805 0.92 SMN1; SMN2 (0.53) MEN1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL8711420 0.90 SMN1; SMN2 (0.56) MEN1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL8712286 0.90 SMN1; SMN2 (0.53) MEN1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL8711438 0.89 SMN1; SMN2 (0.56) MEN1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL8711514 0.89 KDM4E (0.49) MEN1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL8710854 0.89 MEN1 (0.47) MEN1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL8711355 0.89 HSD11B1 (0.51) MEN1KMT2ASMN1; SMN2LMNAHTT

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