SCHEMBL6969800

SCHEMBL6969800

O=[C]N1CCN(C(=O)O)CC1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL9079929 0.80 ALDH1A1 (0.42) ALDH1A1
SCHEMBL28468317 0.80 ALDH1A1 (0.42) ALDH1A1
SCHEMBL16904 0.80 ALDH1A1 (0.42) ALDH1A1
SCHEMBL145307 0.80
SCHEMBL8722765 0.79 ALDH1A1 (0.31) ALDH1A1
SCHEMBL1591122 0.77 HTR1A (0.39) ALDH1A1
SCHEMBL1307068 0.77 CYP1A2 (0.54) ALDH1A1
SCHEMBL2244347 0.77 CTSL (0.43)
Hydrochloric Acid SCHEMBL10787986 0.76 ALDH1A1 (0.40) ALDH1A1
SCHEMBL28497988 0.76 ALDH1A1 (0.40) ALDH1A1

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-0620216-B1 Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO (JP) 2003-01-08 EP disclosed
US-5521170-A VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-05-28 US disclosed
EP-0620216-A1 Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-10-19 EP disclosed