SCHEMBL9253841

SCHEMBL9253841

O=C(CCCCC1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1

nearest known ligand 0.78

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.70
BCHE P06276 2/20 0.70
CHRM4 P08173 1/20 0.62
SLC6A12 P48065 1/20 0.58
TMEM97 Q5BJF2 1/20 0.58
MCHR1 Q99705 1/20 0.58
SIGMAR1 Q99720 1/20 0.58

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
SCHEMBL9253116 0.96 ACHE (0.71) ACHEBCHECHRM4SLC6A12TMEM97
SCHEMBL9250309 0.92 ACHE (0.83) ACHEBCHECHRM4
Fumaric Acid SCHEMBL9252669 0.91 ACHE (0.64) ACHEBCHECHRM4
Fumaric Acid SCHEMBL9252661 0.91 ACHE (0.64) ACHEBCHECHRM4
SCHEMBL9253392 0.85 ACHE (0.65) ACHEBCHECHRM4
SCHEMBL9253037 0.85 ACHE (0.65) ACHEBCHE
Hydrochloric Acid SCHEMBL10474726 0.84 CHRM4 (0.66) ACHEBCHECHRM4SLC6A12TMEM97
SCHEMBL9051860 0.84 DRD2 (0.67)
SCHEMBL7381004 0.84 DRD2 (0.67) SIGMAR1
Hydrochloric Acid SCHEMBL7236442 0.84 ACHE (0.66) ACHEBCHE

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