SCHEMBL9252995

SCHEMBL9252995

CC(=O)N1CCC(CCCCC(=O)c2ccc(F)cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
CHRM2 P08172 1/20 0.53
HTR1A P08908 1/20 0.53
ADRA2A P08913 1/20 0.53
DRD1 P21728 1/20 0.53
ADRA1A P35348 1/20 0.53
OPRM1 P35372 1/20 0.53
DRD3 P35462 1/20 0.53
KCNH2 Q12809 1/20 0.53
HRH3 Q9Y5N1 1/20 0.53
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
MCHR1 Q99705 1/20 0.49
TSHR P16473 1/20 0.49
HTR7 P34969 1/20 0.49
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
DRD2 P14416 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
SCHEMBL9256634 0.96 KMT2A (0.54) KMT2AMEN1CHRM2HTR1AADRA2A
SCHEMBL9247297 0.91 KMT2A (0.52) KMT2AMEN1CHRM2HTR1AADRA2A
SCHEMBL9253569 0.82 DRD2 (0.66) KMT2ADRD2
SCHEMBL7731150 0.81 FAAH (0.59) KMT2AMEN1CHRM2HTR1AADRA2A
SCHEMBL7227360 0.81 MCHR1 (0.59) MCHR1
SCHEMBL9253841 0.78 ACHE (0.70) MCHR1
SCHEMBL8132896 0.77 ACHE (0.48)
SCHEMBL7227265 0.76 MCHR1 (0.66) MCHR1
SCHEMBL9249556 0.75 BCHE (0.46) DRD2
SCHEMBL7736003 0.75 MEN1 (0.48) KMT2AMEN1CHRM2HTR1AADRA2A

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