SCHEMBL8716656

SCHEMBL8716656

COc1cccc(N(CCN2CCC(C(=O)c3ccc(F)cc3)CC2)C(=O)c2ccc(N(C)C)cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.54
PTGIR P43119 1/20 0.48
HTR2A P28223 3/20 0.46
HTR2C P28335 3/20 0.46
DRD2 P14416 1/20 0.46
HTR7 P34969 2/20 0.46
HTR6 P50406 2/20 0.46
OPRM1 P35372 2/20 0.46
OPRD1 P41143 1/20 0.46
OPRK1 P41145 1/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 1/20 0.45
ACHE P22303 2/20 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
Hydrochloric Acid SCHEMBL8711167 0.99 HSD11B1 (0.53) HSD11B1PTGIRHTR2AHTR2CDRD2
SCHEMBL8710939 0.93 HSD11B1 (0.52) HSD11B1PTGIRHTR2AHTR2CDRD2
SCHEMBL8710827 0.91 HSD11B1 (0.54) HSD11B1PTGIRHTR2AHTR2CDRD2
Hydrochloric Acid SCHEMBL9229278 0.91 HSD11B1 (0.53) HSD11B1PTGIRHTR2AHTR2CDRD2
SCHEMBL8711220 0.90 PTGIR (0.56) HSD11B1PTGIRHTR2AHTR2CDRD2
SCHEMBL8710943 0.89 HSD11B1 (0.52) HSD11B1PTGIRHTR2AHTR2CDRD2
Hydrochloric Acid SCHEMBL8711407 0.88 HSD11B1 (0.51) HSD11B1PTGIRHTR2AHTR2CDRD2
SCHEMBL8716772 0.88 HSD11B1 (0.51) HSD11B1PTGIRHTR2AHTR2CDRD2
SCHEMBL8711355 0.88 HSD11B1 (0.51) HSD11B1PTGIRHTR2AHTR2CDRD2
Fumaric Acid SCHEMBL8716585 0.88 HSD11B1 (0.47) HSD11B1PTGIRHTR2AHTR2CDRD2

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