SCHEMBL9530620

SCHEMBL9530620

CC(C)(C)C(=O)C(N)CCCN1CCC(C(=O)O)C1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 2/20 0.38
S1PR4 O95977 1/20 0.38
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
BCHE P06276 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL18159725 0.76 GAA (0.48) SMN1; SMN2
SCHEMBL14554075 0.75 S1PR5 (0.56) S1PR5S1PR4S1PR1S1PR3BCHE
SCHEMBL13766174 0.75 S1PR5 (0.56) S1PR5S1PR4S1PR1S1PR3BCHE
SCHEMBL12155335 0.73 SMN1; SMN2 (0.43) S1PR5S1PR4S1PR1S1PR3SMN1; SMN2
SCHEMBL14552737 0.73 SMN1; SMN2 (0.43) S1PR5S1PR4S1PR1S1PR3SMN1; SMN2
SCHEMBL1361486 0.73 S1PR4 (0.43) S1PR5S1PR4S1PR1S1PR3
SCHEMBL1361484 0.73 S1PR4 (0.43) S1PR5S1PR4S1PR1S1PR3SMN1; SMN2
SCHEMBL12320884 0.71 SMN1; SMN2 (0.44) S1PR5S1PR4S1PR1S1PR3SMN1; SMN2
SCHEMBL22677330 0.71 SMN1; SMN2 (0.62) S1PR5S1PR4S1PR1S1PR3BCHE
SCHEMBL22675343 0.71 SMN1; SMN2 (0.62) S1PR5S1PR4S1PR1S1PR3BCHE

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-0561941-A1 N-SUBSTITUTED LACTAMS USEFUL AS CHOLECYSTOKININ ANTAGONISTS. SEARLE & CO (US) 1993-09-29 EP disclosed