SCHEMBL22213481

SCHEMBL22213481

NCC1(C=O)CCCN1C(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL10333902 0.86
SCHEMBL2198102 0.80
SCHEMBL6124697 0.78
SCHEMBL6515271 0.78 MEN1 (0.50) SMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL30832481 0.78 MEN1 (0.50) SMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL21224325 0.78
SCHEMBL7606324 0.77 MEN1 (0.49) SMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL28017797 0.77 CYP2C19 (0.44) CYP2C19SMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL31336435 0.77 CYP2C19 (0.44) CYP2C19SMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL8821789 0.76 MEN1 (0.46) SMN1; SMN2MEN1KMT2ANPSR1

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-3679931-A2 METHODS OF TREATING ALZHEIMER'S DISEASE, HUNTINGTON'S DISEASE, AUTISM, AND OTHER DISORDERS Northwestern University (US) 2020-07-15 EP disclosed