SCHEMBL9256804

SCHEMBL9256804

O=C(c1ccc(N2CCCC2)cc1)C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.81

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.81
HTR2C P28335 1/20 0.81
HTR2B P41595 1/20 0.81
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
TSHR P16473 1/20 0.60
LMNA P02545 1/20 0.56
CHRM4 P08173 1/20 0.54
SLC18A3 Q16572 2/20 0.54

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
SCHEMBL26391938 0.90 HTR2A (1.00) HTR2AHTR2CHTR2BMEN1KMT2A
SCHEMBL6344464 0.86 HTR2A (0.73) HTR2AHTR2CHTR2BMEN1KMT2A
SCHEMBL6154035 0.85 HTR2A (0.69) HTR2AHTR2CHTR2BMEN1KMT2A
SCHEMBL6154064 0.83 GAA (0.70) HTR2AHTR2CHTR2BMEN1KMT2A
SCHEMBL10963541 0.83 KCNH2 (0.73) HTR2AHTR2CHTR2BMEN1KMT2A
SCHEMBL228242 0.83 HTR2A (0.76) HTR2AHTR2CHTR2BSLC18A3
SCHEMBL6209404 0.83 HTR2A (0.66) HTR2AHTR2CHTR2BKMT2A
SCHEMBL9246613 0.82 HTR2A (0.59) HTR2AHTR2CHTR2B
SCHEMBL4500124 0.81 ACHE (0.77)
SCHEMBL9253050 0.80 SMN1; SMN2 (0.64) HTR2AHTR2CHTR2BMEN1KMT2A

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