SCHEMBL8713340

SCHEMBL8713340

Cc1ccsc1N(CCN1CCC(C(=O)c2ccc(F)cc2)CC1)C(=O)c1cccc(N)c1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.45
HTR2A P28223 2/20 0.45
HTR7 P34969 2/20 0.45
HTR6 P50406 2/20 0.45
HSD11B1 P28845 2/20 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
SCHEMBL8711234 0.90 HTR2C (0.48) HTR2CHTR2AHTR7HTR6
SCHEMBL8716553 0.87 HSD11B1 (0.55) HTR2CHTR2AHTR7HTR6HSD11B1
SCHEMBL8710890 0.87 MEN1 (0.51) HTR2CHTR2AHTR7HTR6
Fumaric Acid SCHEMBL9232874 0.86 HTR2C (0.44) HTR2CHTR2AHTR7HTR6
SCHEMBL8711675 0.86 HTR2A (0.51) HTR2CHTR2AHTR7HTR6
SCHEMBL8711375 0.85 PTGIR (0.51) HTR2CHTR2AHTR7HTR6HSD11B1
SCHEMBL8713474 0.84 ACHE (0.52) HTR2CHTR2AHTR7HTR6
SCHEMBL9233342 0.82 HTR2A (0.48) HTR2CHTR2AHTR7HTR6
SCHEMBL8711345 0.82 HSD11B1 (0.52) HTR2CHTR2AHTR7HTR6HSD11B1
SCHEMBL8710857 0.82 SMN1; SMN2 (0.52) HTR2CHTR2AHTR7HTR6

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