SCHEMBL3840279

SCHEMBL3840279

O=C(O)C1=CN(CCO)CCC1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
OAT P04181 1/20 0.37
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
SCHEMBL4500658 0.80 LMNA (0.41) ALDH1A1
SCHEMBL3838167 0.80 KDM5A (0.36) OATALDH1A1
SCHEMBL3838127 0.73 OAT (0.37) OATALDH1A1
SCHEMBL3842597 0.73 DUT (0.34)
SCHEMBL9432586 0.70 ALDH1A1 (0.33) ALDH1A1
SCHEMBL38658153 0.69 OAT (0.37) OATALDH1A1
SCHEMBL9432543 0.68 ALDH1A1 (0.35) ALDH1A1
SCHEMBL9432597 0.67 SLC6A3 (0.42) ALDH1A1
SCHEMBL9432630 0.67 ALDH1A1 (0.41) ALDH1A1
SCHEMBL9432994 0.65 CHRNB2 (0.39) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1931341-B1 1H-INDOLE-PYRIDINECARBOXAMIDE AND 1H-INDOLE-PIPERIDINECARBOXAMIDE DERIVATIVES AND THEIR USE AS TYROSINE HYDROXYLASE INDUCERS SERVIER LAB (FR) 2009-11-04 EP disclosed