SCHEMBL8711345

SCHEMBL8711345

Cc1ccsc1N(CCN1CCC(C(=O)c2ccc(F)cc2)CC1)C(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.52
HTR2A P28223 2/20 0.49
HTR2C P28335 8/20 0.45
HTR7 P34969 1/20 0.45
HTR6 P50406 1/20 0.45
SLC18A3 Q16572 1/20 0.43

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
SCHEMBL8716553 0.91 HSD11B1 (0.55) HSD11B1HTR2AHTR2CHTR7HTR6
SCHEMBL8711234 0.88 HTR2C (0.48) HTR2AHTR2CHTR7HTR6SLC18A3
SCHEMBL8712117 0.85 HSD11B1 (0.59) HSD11B1HTR2AHTR2CHTR7HTR6
SCHEMBL8710934 0.85 HSD11B1 (0.54) HSD11B1HTR2AHTR2CHTR7HTR6
SCHEMBL8710857 0.84 SMN1; SMN2 (0.52) HTR2AHTR2CHTR7HTR6SLC18A3
SCHEMBL8711262 0.84 HSD11B1 (0.52) HSD11B1HTR2AHTR2CHTR7HTR6
SCHEMBL8712288 0.84 HSD11B1 (0.53) HSD11B1HTR2AHTR2CHTR7HTR6
Fumaric Acid SCHEMBL9232874 0.83 HTR2C (0.44) HTR2AHTR2CHTR7HTR6SLC18A3
SCHEMBL8715718 0.83 HTR2A (0.61) HSD11B1HTR2A
SCHEMBL8713340 0.82 HTR2C (0.45) HSD11B1HTR2AHTR2CHTR7HTR6

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