SCHEMBL8716645

SCHEMBL8716645

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

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.47
HTR2C P28335 2/20 0.47
HTR7 P34969 2/20 0.47
HTR6 P50406 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 2/20 0.47
HTT P42858 1/20 0.47
ALDH1A1 P00352 1/20 0.47
ACHE P22303 1/20 0.46
KDM4E B2RXH2 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45

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
SCHEMBL8710697 0.91 SMN1; SMN2 (0.51) HTR2AHTR2CHTR7HTR6MEN1
SCHEMBL8710805 0.89 SMN1; SMN2 (0.53) HTR2AHTR2CHTR7HTR6MEN1
SCHEMBL8713652 0.89 MEN1 (0.49) HTR2AHTR2CHTR7HTR6MEN1
SCHEMBL8711420 0.88 SMN1; SMN2 (0.56) HTR2AMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL8713458 0.88 HTR2A (0.51) HTR2AHTR2CHTR7HTR6ACHE
SCHEMBL8711438 0.87 SMN1; SMN2 (0.56) HTR2AHTR2CHTR7HTR6MEN1
SCHEMBL8711514 0.87 KDM4E (0.49) HTR2AHTR2CHTR7HTR6MEN1
SCHEMBL8711355 0.87 HSD11B1 (0.51) HTR2AHTR2CMEN1KMT2ASMN1; SMN2
SCHEMBL8710854 0.87 MEN1 (0.47) HTR2AHTR2CHTR7HTR6MEN1
Fumaric Acid SCHEMBL8711669 0.86 SMN1; SMN2 (0.49) HTR2AHTR2CHTR7HTR6MEN1

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