SCHEMBL3840187

SCHEMBL3840187

CCCCN1CCN(CCN2CCCC(C(=O)O)C2)CC1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BCHE P06276 7/20 0.61
SMN1; SMN2 Q16637 1/20 0.56
S1PR5 Q9H228 1/20 0.50

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
SCHEMBL14554032 0.95 BCHE (0.66) BCHESMN1; SMN2
SCHEMBL14217826 0.95 BCHE (0.66) BCHESMN1; SMN2
Hydrochloric Acid SCHEMBL28558935 0.94 BCHE (0.64) BCHESMN1; SMN2
SCHEMBL7328973 0.91 BCHE (0.73) BCHE
SCHEMBL31549855 0.89 BCHE (0.76) BCHES1PR5
SCHEMBL31549856 0.89 BCHE (0.76) BCHES1PR5
SCHEMBL31549848 0.89 BCHE (0.76) BCHES1PR5
SCHEMBL31549857 0.89 BCHE (0.76) BCHES1PR5
SCHEMBL3844246 0.86 ALDH1A1 (0.53) BCHESMN1; SMN2
SCHEMBL3842797 0.86 ALDH1A1 (0.55) SMN1; SMN2

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