SCHEMBL9254041

SCHEMBL9254041

CC(=O)N1CCC(C(=O)c2ccc(N3CCCCCC3)cc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.53
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ALDH1A1 P00352 5/20 0.50
MAPT P10636 2/20 0.50
MGLL Q99685 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
POLB P06746 2/20 0.48
MBTD1 Q05BQ5 1/20 0.48
TP53BP1 Q12888 1/20 0.48
L3MBTL4 Q8NA19 1/20 0.48
L3MBTL3 Q96JM7 1/20 0.48
GFER P55789 2/20 0.48
CASP6 P55212 1/20 0.48
LMNA P02545 2/20 0.47
MAPK1 P28482 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
NPC1 O15118 1/20 0.47

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
SCHEMBL9252527 1.00 HSD11B1 (0.53) HSD11B1MEN1KMT2AALDH1A1MAPT
SCHEMBL9255076 0.99 HSD11B1 (0.54) HSD11B1MEN1KMT2AALDH1A1MAPT
SCHEMBL9249192 0.87 HSD11B1 (0.69) HSD11B1MEN1KMT2AALDH1A1MAPT
SCHEMBL9253621 0.86 ALDH1A1 (0.64) MEN1KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL9257637 0.86 HSD11B1 (0.51) HSD11B1MEN1KMT2AALDH1A1MAPT
SCHEMBL29448588 0.80 KMT2A (0.77) HSD11B1MEN1KMT2AALDH1A1MGLL
SCHEMBL9252873 0.80 ALDH1A1 (0.41) MEN1KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL9253376 0.80 HDAC1 (0.45) MEN1KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL6212608 0.79 HSD11B1 (0.74) HSD11B1ALDH1A1MGLLPOLBLMNA
SCHEMBL4192633 0.79 HSD11B1 (0.65) HSD11B1MEN1KMT2AALDH1A1MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5441967-A Treating cerebral edema; anticholinesterase or brain function-improving agent TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-08-15 US disclosed
US-5294625-A 1-benzyl,4-((4-dialkylaminophenyl)carbonyl)piperidines TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-03-15 US disclosed
EP-0378207-B1 CYCLIC AMINE COMPOUNDS AND THEIR USE Takeda Chemical Industries, Ltd. (JP) 1993-09-22 EP disclosed
US-5177087-A Cerebral edema, cholinesterase inhibitor TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-01-05 US disclosed
EP-0378207-A1 Cyclic amine compounds and their use Takeda Chemical Industries, Ltd. (JP) 1990-07-18 EP disclosed