SCHEMBL9253445

SCHEMBL9253445

CC(C)CCC(=O)N1CCC(Cc2ccc(N3CCCCC3)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 1/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 1/20 0.47
TACR3 P29371 1/20 0.43
HRH3 Q9Y5N1 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
SCHEMBL27014443 0.83 ALDH1A1 (0.61) KDM4EALDH1A1TACR3HRH3
Hydrochloric Acid SCHEMBL9251128 0.76 SLC6A2 (0.53) L3MBTL3HRH3
Hydrochloric Acid SCHEMBL9253528 0.76 GFER (0.44) L3MBTL3KDM4EALDH1A1MAPTTACR3
Hydrochloric Acid SCHEMBL5838199 0.73 ADRA2A (0.46)
SCHEMBL15840450 0.72 KMT2A (0.61) ALDH1A1MAPT
SCHEMBL15840437 0.72 GFER (0.61) ALDH1A1MAPT
SCHEMBL15840436 0.72 MAPT (0.69) KDM4EALDH1A1MAPT
SCHEMBL12197927 0.72 ATM (0.56) ALDH1A1
Hydrochloric Acid SCHEMBL7090416 0.71 CHRM2 (0.45) KDM4EALDH1A1MAPT
SCHEMBL20708873 0.71 HRH3 (0.43) KDM4EALDH1A1MAPTHRH3

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