SCHEMBL6175938

SCHEMBL6175938

CCC(C)(Cc1ccc(OC)cc1)NCCCCN1CCCNC1=O

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
HSD17B10 Q99714 2/20 0.37
CASR P41180 4/20 0.36
DRD4 P21917 1/20 0.35
GAA P10253 2/20 0.34
MAPT P10636 1/20 0.34
HPGDS O60760 1/20 0.34
DAO P14920 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL6986506 0.85 SMN1; SMN2 (0.37) SMN1; SMN2MAPT
SCHEMBL6976795 0.78 KMT2A (0.47) SMN1; SMN2HSD17B10GAAMAPT
SCHEMBL6985419 0.70 KMT2A (0.41)
SCHEMBL4871373 0.70 SLC6A4 (0.46) SMN1; SMN2HSD17B10GAAHPGDSCYP2D6
SCHEMBL6984916 0.70 KMT2A (0.41)
SCHEMBL6982440 0.69 PDK1 (0.41) SMN1; SMN2GAA
SCHEMBL6171559 0.67 ALDH1A1 (0.40) GAA
SCHEMBL6974917 0.66 KMT2A (0.43) SMN1; SMN2CASRMAPT
SCHEMBL7297979 0.65 PRKAB2 (0.41) SMN1; SMN2
SCHEMBL11500304 0.65 SMN1; SMN2 (0.46) SMN1; SMN2GAAMAPT

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-1289965-B1 SUBSTITUTED 1-AMINOALKYL-LACTAMS AND THEIR USE AS MUSCARINIC RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2005-10-26 EP disclosed