SCHEMBL9249192

SCHEMBL9249192

CC(=O)N1CCC(C(=O)c2ccc(N3CCOCC3)cc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.69
MGLL Q99685 2/20 0.63
KDM4E B2RXH2 4/20 0.53
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
TACR2 P21452 1/20 0.49
MAPT P10636 3/20 0.48
ATM Q13315 1/20 0.48
GSK3B P49841 1/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
HSD17B10 Q99714 1/20 0.48
POLB P06746 1/20 0.47
CASP6 P55212 1/20 0.47
GFER P55789 1/20 0.47
LMNA P02545 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46

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
SCHEMBL9255076 0.89 HSD11B1 (0.54) HSD11B1MGLLMEN1KMT2AMAPT
SCHEMBL9252527 0.87 HSD11B1 (0.53) HSD11B1MGLLMEN1KMT2AMAPT
SCHEMBL9254041 0.87 HSD11B1 (0.53) HSD11B1MGLLMEN1KMT2AMAPT
SCHEMBL1239981 0.87 HSD11B1 (0.68) HSD11B1MGLLKDM4EMAPTATM
SCHEMBL9257637 0.85 HSD11B1 (0.51) HSD11B1MGLLMEN1KMT2AMAPT
SCHEMBL9379111 0.81 HSD11B1 (0.54) HSD11B1MGLLKDM4EMEN1KMT2A
SCHEMBL29448588 0.79 KMT2A (0.77) HSD11B1MGLLMEN1KMT2AALDH1A1
SCHEMBL6212608 0.78 HSD11B1 (0.74) HSD11B1MGLLKDM4EALDH1A1POLB
SCHEMBL14640729 0.78 MEN1 (0.56) HSD11B1MGLLMEN1KMT2AALDH1A1
SCHEMBL4192633 0.78 HSD11B1 (0.65) HSD11B1MGLLMEN1KMT2AALDH1A1

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 7 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
CN-1024548-C Cyclic amine compounds and their use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1994-05-18 CN 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
CN-1053231-A Cyclic amine compound and uses thereof TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1991-07-24 CN disclosed
EP-0378207-A1 Cyclic amine compounds and their use Takeda Chemical Industries, Ltd. (JP) 1990-07-18 EP disclosed