SCHEMBL11246728

SCHEMBL11246728

CN(CCCNC(=O)c1ccccc1)CCCc1c[nH]c2ccccc12

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.70
KMT2A Q03164 4/20 0.70
NPC1 O15118 3/20 0.70
RAB9A P51151 3/20 0.70
ACHE P22303 3/20 0.66
CDK4 P11802 7/20 0.61
CCND1 P24385 7/20 0.61
SIRT1 Q96EB6 3/20 0.61
POLB P06746 1/20 0.58
TRPV1 Q8NER1 1/20 0.56
SLC6A4 P31645 1/20 0.56

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
SCHEMBL4331421 0.83 MEN1 (1.00) MEN1KMT2ANPC1RAB9AACHE
SCHEMBL11249035 0.81 MEN1 (0.81) MEN1KMT2ANPC1RAB9AACHE
SCHEMBL11280301 0.81 MEN1 (0.71) MEN1KMT2ACDK4CCND1POLB
SCHEMBL2614252 0.80 SIGMAR1 (0.68) NPC1RAB9A
Cyanide SCHEMBL31484737 0.80 MEN1 (0.92) MEN1KMT2ANPC1RAB9AACHE
SCHEMBL14303574 0.79 MEN1 (0.90) MEN1KMT2ANPC1RAB9AACHE
SCHEMBL1514510 0.78 MEN1 (0.78) MEN1KMT2ANPC1RAB9ACDK4
SCHEMBL19411633 0.77 MEN1 (0.67) MEN1KMT2ANPC1RAB9ACDK4
SCHEMBL7019674 0.76 ACHE (0.66) MEN1KMT2ANPC1RAB9AACHE
SCHEMBL11250970 0.76 SLC6A4 (0.71) MEN1KMT2ASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4350634-A HYPOTENSIVE AGENTS SANDOZ LTD. (CH) 1982-09-21 US claimed
EP-0000355-B1 NEW INDOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM. SANDOZ AG (CH) 1982-01-06 EP claimed
EP-0000355-A1 New indole derivatives, processes for their preparation, and pharmaceutical compositions containing them. SANDOZ AG (CH) 1979-01-24 EP claimed
US-4350634-A HYPOTENSIVE AGENTS SANDOZ LTD. (CH) 1982-09-21 US disclosed
EP-0000355-B1 NEW INDOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM. SANDOZ AG (CH) 1982-01-06 EP disclosed
EP-0000355-A1 New indole derivatives, processes for their preparation, and pharmaceutical compositions containing them. SANDOZ AG (CH) 1979-01-24 EP disclosed