SCHEMBL8004850

SCHEMBL8004850

COC(=O)C1(c2ccccc2)CCC(NCC(N)=O)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.46
HSD11B1 P28845 1/20 0.44
CHRM3 P20309 1/20 0.43
HTT P42858 1/20 0.42
KCNA3 P22001 1/20 0.42
OPRM1 P35372 5/20 0.41
BDKRB1 P46663 1/20 0.41
LMNA P02545 1/20 0.41
KDM1A O60341 1/20 0.41
OPRD1 P41143 3/20 0.40
OPRK1 P41145 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ADRA1A P35348 2/20 0.40
SLC22A1 O15245 1/20 0.40
SLC6A4 P31645 1/20 0.40
KCNH2 Q12809 1/20 0.40
ADRA1D P25100 1/20 0.39
APOBEC3A P31941 2/20 0.39
APOBEC3G Q9HC16 2/20 0.39

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
SCHEMBL7233178 0.85 ALOX15 (0.46) ALOX15HSD11B1CHRM3HTTKCNA3
SCHEMBL6349140 0.79 BDKRB1 (0.48) ALOX15HSD11B1CHRM3HTTKCNA3
SCHEMBL19509382 0.78 HSD11B1 (0.51) ALOX15HSD11B1CHRM3HTTKCNA3
SCHEMBL19500368 0.78 HSD11B1 (0.51) ALOX15HSD11B1CHRM3HTTKCNA3
SCHEMBL349195 0.77 MEN1 (0.56) HSD11B1CHRM3HTTKCNA3OPRM1
SCHEMBL16897590 0.77 OPRM1 (0.50) ALOX15OPRM1ADRA1AADRA1DHRH3
SCHEMBL16897486 0.77 OPRM1 (0.50) ALOX15OPRM1ADRA1AADRA1DHRH3
SCHEMBL16897487 0.77 OPRM1 (0.50) ALOX15OPRM1ADRA1AADRA1DHRH3
SCHEMBL8013929 0.76 MEN1 (0.66) HSD11B1OPRM1BDKRB1LMNAKDM1A
SCHEMBL2481767 0.74 AKR1C1 (0.58) HSD11B1CHRM3HTTKCNA3OPRM1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1014973-A4 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2000-09-20 EP claimed
EP-1014973-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2000-07-05 EP claimed
WO-1998057632-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1998-12-23 WO claimed
EP-1014973-A4 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2000-09-20 EP disclosed
EP-1014973-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2000-07-05 EP disclosed
US-6057350-A Alpha 1a adrenergic receptor antagonists MERCK & CO., INC. (US) 2000-05-02 US disclosed
WO-1998057632-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1998-12-23 WO disclosed