SCHEMBL7333522

SCHEMBL7333522

COC(=O)C1CCCN1C(=O)C[O]

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.54
FKBP1A P62942 2/20 0.51
ALDH1A1 P00352 2/20 0.49
LMNA P02545 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PKM P14618 1/20 0.49
PEPD P12955 2/20 0.48
XPNPEP1 Q9NQW7 1/20 0.45
ACE P12821 2/20 0.45
KLK5 Q9Y337 1/20 0.42
ALOX5 P09917 1/20 0.42

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
SCHEMBL19710777 0.88 POLB (0.52) POLBFKBP1AALDH1A1LMNARAB9A
SCHEMBL13662643 0.86 FKBP1A (0.55) POLBFKBP1AALDH1A1LMNARAB9A
SCHEMBL4179454 0.86 FKBP1A (0.55) POLBFKBP1AALDH1A1LMNARAB9A
SCHEMBL7333530 0.86 POLB (0.54) POLBFKBP1AALDH1A1LMNARAB9A
SCHEMBL23135776 0.85 ALDH1A1 (0.54) POLBFKBP1AALDH1A1LMNARAB9A
SCHEMBL5491765 0.85 LMNA (0.54) POLBFKBP1AALDH1A1LMNARAB9A
SCHEMBL2606998 0.85 ALDH1A1 (0.54) POLBFKBP1AALDH1A1LMNARAB9A
SCHEMBL8248348 0.85 POLB (0.52) POLBFKBP1AALDH1A1LMNARAB9A
SCHEMBL6882664 0.85 LMNA (0.54) POLBFKBP1AALDH1A1LMNARAB9A
SCHEMBL683797 0.85 POLB (0.52) POLBFKBP1AALDH1A1LMNARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0514667-B1 Benzazepin derivatives as vasopressin antagonists OTSUKA PHARMA CO LTD (JP) 1995-08-09 EP disclosed
US-5244898-A Vasopressin antagonist OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-09-14 US disclosed
EP-0514667-A1 Benzazepin derivatives as vasopressin antagonists OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-25 EP disclosed