SCHEMBL7862036

SCHEMBL7862036

CN(C)CCc1cccc(O)c1CCN(C)C

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 14/20 0.64
HTR2C P28335 10/20 0.53
HTR2B P41595 6/20 0.53
HTR1A P08908 3/20 0.53
DRD1 P21728 1/20 0.53
HTR1D P28221 1/20 0.53
HTR1B P28222 1/20 0.53
HTR1E P28566 1/20 0.53
ADORA2A P29274 1/20 0.53
ADORA2B P29275 1/20 0.53
HTR7 P34969 1/20 0.53
DRD3 P35462 1/20 0.53
HTR5A P47898 1/20 0.53
HTR6 P50406 1/20 0.53
TAAR1 Q96RJ0 3/20 0.48

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
SCHEMBL2367078 0.84 HTR2A (0.49) HTR2AHTR2CHTR2BHTR1ADRD1
SCHEMBL36797 0.82 HTR2A (0.65) HTR2AHTR2CHTR2BHTR1ADRD1
SCHEMBL10490573 0.81 HTR1A (0.55) HTR2AHTR2CHTR2BHTR1AHTR1D
SCHEMBL30883880 0.79 HTR2A (0.62) HTR2AHTR2CHTR2BHTR1ADRD1
SCHEMBL27366008 0.78 HTR2A (1.00) HTR2AHTR2CHTR2BHTR1ADRD1
SCHEMBL7212907 0.75 HTR2A (0.47) HTR2AHTR2CHTR2BHTR1ADRD1
SCHEMBL8636129 0.74 KDM4E (0.47) HTR2AHTR2CHTR2BHTR1ADRD1
Hydrochloric Acid SCHEMBL27630392 0.74 HTR2A (0.49) HTR2AHTR2CHTR2BHTR1ADRD1
SCHEMBL218408 0.74 IAPP (0.44) HTR1A
SCHEMBL31290573 0.74 IAPP (0.44) HTR1A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4279923-A Combating pests with 3-(2,3-dichloro-3,3-difluoro-prop-1-en-1-yl)-2,2-dimethyl-cyclo-propanecarboxylic acid fluoro-benzyl esters BAYER AKTIENGESELLSCHAFT (DE) 1981-07-21 US claimed
EP-1151853-A1 EASILY DELAMINATABLE LAMINATE AND RESIN COMPOSITION FOR USE THEREIN Sumitomo Chemical Company, Limited (JP) 2001-11-07 EP disclosed
EP-0003479-B1 HARDENING AGENTS AND PROCESS FOR PREPARING EPOXY RESIN POLYADDUCTS SCHERING AKTIENGESELLSCHAFT (DE) 1981-09-16 EP disclosed