SCHEMBL7338699

SCHEMBL7338699

C#CN1CCC1=O.c1cc2cc-2c1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 6/20 0.33
CYP11B2 P19099 6/20 0.33
TP53 P04637 1/20 0.30
HPGD P15428 1/20 0.30
FAAH O00519 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HSP90AA1 P07900 1/20 0.30
PKM P14618 1/20 0.30
HTT P42858 1/20 0.30
ATM Q13315 1/20 0.30
MGLL Q99685 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL6688078 0.84 HRH3 (0.32)
SCHEMBL8660593 0.82
SCHEMBL1414669 0.69
SCHEMBL2704923 0.67
SCHEMBL10628847 0.66 ALDH1A1 (0.35) ALDH1A1L3MBTL1
Succinimide SCHEMBL10852828 0.65 CRBN (0.55) CYP11B1CYP11B2
Propyne SCHEMBL27606886 0.62
SCHEMBL28245604 0.62
SCHEMBL27716094 0.62
SCHEMBL10545379 0.62 MEN1 (0.40) CYP11B1CYP11B2HPGDALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0866705-A4 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 1999-03-03 EP disclosed
US-5852045-A Fibrinogen receptor antagonists MERCK & CO., INC. (US) 1998-12-22 US disclosed
EP-0866705-A1 FIBRINOGEN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 1998-09-30 EP disclosed
WO-1997014417-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1997-04-24 WO disclosed