SCHEMBL7206593

SCHEMBL7206593

c1ncc(N2CCNCC2)nc1OCCC1CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.58
HTR2A P28223 4/20 0.58
HTR2B P41595 3/20 0.58
HTR1A P08908 2/20 0.51
CHRM4 P08173 1/20 0.51
ADRB1 P08588 1/20 0.51
CHRM5 P08912 1/20 0.51
CHRM1 P11229 1/20 0.51
CHRM3 P20309 1/20 0.51
FPR3 P25089 1/20 0.51
HTR1D P28221 1/20 0.51
HTR1B P28222 1/20 0.51
HTR1E P28566 1/20 0.51
GPR183 P32249 1/20 0.51
HTR7 P34969 1/20 0.51
HRH1 P35367 1/20 0.51
DRD3 P35462 1/20 0.51
HTR3A P46098 1/20 0.51
SIGMAR1 Q99720 1/20 0.51
GPR35 Q9HC97 1/20 0.51

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
SCHEMBL7209543 0.95 HTR2C (0.56) HTR2CHTR2AHTR2BHTR1ACHRM4
SCHEMBL3272932 0.94 HTR2C (0.55) HTR2CHTR2AHTR2BHTR1ACHRM4
SCHEMBL3266673 0.82 HTR2C (0.61) HTR2CHTR2AHTR2BHTR1ACHRM4
SCHEMBL3270209 0.82 HTR2C (0.52) HTR2CHTR2AHTR2BHTR1ACHRM4
SCHEMBL25098488 0.80 HTR2C (0.58) HTR2CHTR2AHTR2BHTR1ACHRM4
SCHEMBL30620651 0.80 HTR2C (0.58) HTR2CHTR2AHTR2BHTR1ACHRM4
SCHEMBL3274280 0.80 HTR2C (0.59) HTR2CHTR2AHTR2BHTR1ACHRM4
SCHEMBL3267817 0.78 HTR2C (0.66) HTR2CHTR2AHTR2BHTR1ACHRM4
SCHEMBL3272681 0.77 HTR2C (0.65) HTR2CHTR2AHTR2BHTR1ACHRM4
SCHEMBL3267894 0.77 HTR2C (0.71) HTR2CHTR2AHTR2BHTR1ACHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1335907-A1 PIPERAZINYLPYRAZINE COMPOUNDS AS AGONIST OR ANTAGONIST OF SEROTONIN 5HT-2 RECEPTOR BIOVITRUM AB (SE) 2003-08-20 EP disclosed
WO-2002040456-A1 PIPERAZINYLPYRAZINE COMPOUNDS AS AGONIST OR ANTAGONIST OF SEROTONIN 5HT-2 RECEPTOR BIOVITRUM AB (SE) 2002-05-23 WO disclosed