SCHEMBL1331632

SCHEMBL1331632

CC(C)(C)NCC(O)COc1ccccc1C(=O)CCc1ccccc1

nearest known ligand 0.98

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.98
KMT2A Q03164 3/20 0.98
ABCB1 P08183 15/20 0.72
LMNA P02545 2/20 0.71
CYP1A2 P05177 2/20 0.71
CYP2D6 P10635 2/20 0.71
CYP3A4 P08684 2/20 0.71
KCNH2 Q12809 2/20 0.71
KCNK3 O14649 1/20 0.71
SLC22A1 O15245 1/20 0.71
ABCC9 O60706 1/20 0.71
KCNK2 O95069 1/20 0.71
ABCB11 O95342 1/20 0.71
ADRB2 P07550 1/20 0.71
ADRB1 P08588 1/20 0.71
ADRB3 P13945 1/20 0.71
ADRA2C P18825 1/20 0.71
SLC6A2 P23975 1/20 0.71
HTR2A P28223 1/20 0.71
HTR2C P28335 1/20 0.71

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
Diprafenone SCHEMBL563653 0.90 MEN1 (0.80) MEN1KMT2AABCB1LMNACYP1A2
Diprafenone SCHEMBL8862790 0.89 MEN1 (0.82) MEN1KMT2AABCB1LMNACYP1A2
SCHEMBL15750367 0.87 ABCB1 (0.77) MEN1KMT2AABCB1LMNACYP1A2
SCHEMBL31619332 0.85 KCNH2 (0.85) MEN1KMT2AABCB1LMNACYP1A2
SCHEMBL11583776 0.85 MEN1 (0.72) MEN1KMT2AABCB1ADRB2ADRB1
SCHEMBL11867197 0.84 MEN1 (0.71) MEN1KMT2ACYP1A2CYP2D6KCNH2
SCHEMBL29439280 0.84 ABCB1 (1.00) MEN1KMT2AABCB1LMNACYP1A2
Propafenone SCHEMBL27865 0.83 ABCB1 (1.00) MEN1KMT2AABCB1LMNACYP1A2
Propafenone SCHEMBL41413 0.83 ABCB1 (1.00) MEN1KMT2AABCB1LMNACYP1A2
Propafenone SCHEMBL16730120 0.83 ABCB1 (1.00) MEN1KMT2AABCB1LMNACYP1A2

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
US-8323911-B2 High throughput assay for discovering new inhibitors of the GIRK1/4 channel UNIVERSITY OF SOUTH CAROLINA (US) 2012-12-04 US disclosed
US-20110281278-A1 High Throughput Assay for Discovering New Inhibitors of the GIRK1/4 Channel UNIVERSITY OF SOUTH CAROLINA (US) 2011-11-17 US disclosed