SCHEMBL8301940

SCHEMBL8301940

Fc1ccc2c(C3CCN(CCNc4ccccn4)CC3)c[nH]c2c1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.61
SLC6A4 P31645 4/20 0.61
ADRA1D P25100 3/20 0.59
ADRA1B P35368 1/20 0.57
HTR1A P08908 4/20 0.52
HTR7 P34969 5/20 0.49
HTR2A P28223 3/20 0.49
KCNH2 Q12809 3/20 0.49
HTR6 P50406 1/20 0.47
OPRM1 P35372 1/20 0.46
OPRK1 P41145 1/20 0.46
OPRL1 P41146 1/20 0.46
HTR1D P28221 1/20 0.46
HTR1B P28222 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
SCHEMBL8299871 0.92 HTR1A (0.57) DRD2SLC6A4HTR1AHTR7HTR2A
SCHEMBL27510233 0.90 ADRA1D (0.52) DRD2SLC6A4ADRA1DADRA1BHTR1A
SCHEMBL8296229 0.83 DRD2 (0.54) DRD2SLC6A4ADRA1DADRA1BHTR1A
SCHEMBL8303049 0.83 DRD2 (0.67) DRD2SLC6A4ADRA1DADRA1BHTR1A
SCHEMBL8305897 0.81 CYP2D6 (0.44) DRD2SLC6A4ADRA1DHTR1AKCNH2
SCHEMBL8299590 0.80 DRD2 (0.51) DRD2SLC6A4ADRA1DADRA1BHTR1A
SCHEMBL8299474 0.80 KCNH2 (0.51) SLC6A4HTR1AKCNH2
SCHEMBL7843683 0.80 HTR1D (0.55) HTR1AHTR1DHTR1B
SCHEMBL24279608 0.79 DRD2 (0.77) DRD2SLC6A4ADRA1DADRA1BHTR1A
SCHEMBL8298849 0.78 DRD2 (0.60) DRD2SLC6A4ADRA1DADRA1BHTR1A

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
CN-1223650-A Piperidines and pyrrolidines MERCK PATENT GMBH (DE) 1999-07-21 CN disclosed
EP-0898569-A1 PIPERIDINES AND PYRROLIDINES MERCK PATENT GmbH (DE) 1999-03-03 EP disclosed
WO-1997040038-A1 PIPERIDINES AND PYRROLIDINES MERCK PATENT GMBH (DE) 1997-10-30 WO disclosed