SCHEMBL9250133

SCHEMBL9250133

CC(=O)N1CCC(C(O)c2ccc(N3CCCC3)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 2/20 0.47
CASP6 P55212 1/20 0.47
SMYD3 Q9H7B4 1/20 0.46
DHODH Q02127 1/20 0.45
RORC P51449 1/20 0.44
MAPT P10636 5/20 0.43
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KDM4E B2RXH2 2/20 0.43
GAA P10253 2/20 0.43
ALOX15 P16050 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
ALOX12 P18054 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43

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 0.74 HSD11B1 (0.54) GFERCASP6MAPTALDH1A1MEN1
Hydrochloric Acid SCHEMBL9253062 0.74 HRH3 (0.41) DHODHMAPTALDH1A1MEN1KMT2A
SCHEMBL9252527 0.73 HSD11B1 (0.53) GFERCASP6MAPTALDH1A1MEN1
SCHEMBL9014134 0.73 CASP6 (0.51) GFERCASP6KMT2A
SCHEMBL9254041 0.73 HSD11B1 (0.53) GFERCASP6MAPTALDH1A1MEN1
SCHEMBL1790382 0.73 RORC (0.45) SMYD3DHODHRORCMAPTALDH1A1
SCHEMBL1787709 0.73 HRH3 (0.45) RORC
SCHEMBL1787712 0.71 RORC (0.44) SMYD3RORCDPP4DPP7
Hydrochloric Acid SCHEMBL9013978 0.71 MAPT (0.57) GFERCASP6MAPTALDH1A1MEN1
SCHEMBL9255015 0.71 MBTD1 (0.46) GFERCASP6MAPTALDH1A1MEN1

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