SCHEMBL6957421

SCHEMBL6957421

CN(C)C1CCc2oc3ccc(NC(=O)C4CCC4)cc3c2C1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.47
GAA P10253 3/20 0.47
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 2/20 0.47
LMNA P02545 2/20 0.44
HTT P42858 2/20 0.44
MEN1 O00255 2/20 0.44
NPC1 O15118 2/20 0.44
KMT2A Q03164 2/20 0.44
RAB9A P51151 2/20 0.44
HTR1F P30939 1/20 0.43
NPSR1 Q6W5P4 3/20 0.42
TP53 P04637 3/20 0.41
MAPT P10636 3/20 0.41
POLB P06746 1/20 0.41
ULK1 O75385 1/20 0.40
THRB P10828 1/20 0.39

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
Acetic Acid SCHEMBL6955381 0.97 SMN1; SMN2 (0.45) SMN1; SMN2GAAKDM4EALDH1A1LMNA
Acetic Acid SCHEMBL30909179 0.97 SMN1; SMN2 (0.45) SMN1; SMN2GAAKDM4EALDH1A1LMNA
SCHEMBL6961514 0.97 ALDH1A1 (0.47) SMN1; SMN2GAAKDM4EALDH1A1LMNA
SCHEMBL30909046 0.97 ALDH1A1 (0.47) SMN1; SMN2GAAKDM4EALDH1A1LMNA
SCHEMBL6956061 0.96 SMN1; SMN2 (0.48) SMN1; SMN2GAAKDM4EALDH1A1LMNA
SCHEMBL6962417 0.87 HTR1F (0.45) SMN1; SMN2GAAKDM4EALDH1A1HTR1F
SCHEMBL30909298 0.87 HTR1F (0.45) SMN1; SMN2GAAKDM4EALDH1A1HTR1F
SCHEMBL30909221 0.84 HTR1F (0.43) SMN1; SMN2GAAKDM4EALDH1A1RAB9A
SCHEMBL6962292 0.84 HTR1F (0.43) SMN1; SMN2GAAKDM4EALDH1A1RAB9A
SCHEMBL30908917 0.83 HTR1F (0.43) SMN1; SMN2GAAHTR1FTP53MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0929299-B1 SUBSTITUTED 1,2,3,4-TETRAHYDRO-2-DIBENZOFURANAMINES AND 2-AMINOCYCLOHEPTA(b)BENZOFURANS LILLY CO ELI (US) 2003-10-08 EP disclosed
US-5935992-A TREATMENT OF MIGRAINE ELI LILLY AND COMPANY (US) 1999-08-10 US disclosed
US-5932739-A TREATMENT OF MIGRAINE ELI LILLY AND COMPANY (US) 1999-08-03 US disclosed
US-5846995-A Substituted 1, 2, 3, 4-tetrahydro-2-dibenzofuranamines and 2-amino-cyclohepta (6, 7-B) Benzofurans ELI LILLY AND COMPANY (US) 1998-12-08 US disclosed