SCHEMBL6436136

SCHEMBL6436136

COc1ccccc1C(=O)NCC1(c2ccccc2)CCN(C(C)=O)CC1

nearest known ligand 0.75

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.75
KMT2A Q03164 2/20 0.75
ALDH1A1 P00352 1/20 0.75
KCNA3 P22001 17/20 0.71
SLC6A9 P48067 1/20 0.68

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
SCHEMBL6438777 0.89 MEN1 (0.72) MEN1KMT2AALDH1A1KCNA3SLC6A9
SCHEMBL2469741 0.89 MEN1 (0.76) MEN1KMT2AALDH1A1KCNA3SLC6A9
SCHEMBL6435262 0.89 MEN1 (0.72) MEN1KMT2AALDH1A1KCNA3SLC6A9
SCHEMBL6437537 0.88 MEN1 (0.71) MEN1KMT2AALDH1A1KCNA3SLC6A9
SCHEMBL2467285 0.88 MEN1 (0.71) MEN1KMT2AALDH1A1KCNA3SLC6A9
SCHEMBL12194881 0.88 MEN1 (0.77) MEN1KMT2AALDH1A1KCNA3SLC6A9
SCHEMBL6438157 0.87 SLC6A9 (0.69) MEN1KMT2AALDH1A1KCNA3SLC6A9
SCHEMBL6436647 0.87 MEN1 (0.69) MEN1KMT2AALDH1A1KCNA3SLC6A9
SCHEMBL6439436 0.87 MEN1 (0.69) MEN1KMT2AALDH1A1KCNA3SLC6A9
SCHEMBL2493771 0.86 MEN1 (0.68) MEN1KMT2AALDH1A1KCNA3SLC6A9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1126849-B1 HETEROCYCLIC POTASSIUM CHANNEL INHIBITORS MERCK & CO INC (US) 2005-03-09 EP disclosed
US-6303637-B1 FOR THERAPY OF AUTOIMMUNE DISEASE, PROPHYLAXIS OF RESISTANCE TO TRANSPLANTATION OR TRANSPLANTATION REJECTION OF ORGANS OR TISSUES; SUPPRESSING IMMUNE SYSTEM MERCK & CO., INC. 2001-10-16 US disclosed