SCHEMBL8303049

SCHEMBL8303049

Fc1cccc(NCCN2CCC(c3c[nH]c4cc(F)ccc34)CC2)c1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.67
SLC6A4 P31645 3/20 0.67
ADRA1D P25100 3/20 0.65
ADRA1B P35368 1/20 0.59
HTR1A P08908 3/20 0.56
HTR7 P34969 4/20 0.52
HTR2A P28223 3/20 0.52
KCNH2 Q12809 3/20 0.52
OPRM1 P35372 3/20 0.51
OPRL1 P41146 3/20 0.51
HTR1D P28221 2/20 0.51
HTR1B P28222 1/20 0.51
OPRK1 P41145 2/20 0.49

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
SCHEMBL8298849 0.95 DRD2 (0.60) DRD2SLC6A4ADRA1DADRA1BHTR1A
SCHEMBL8443108 0.92 HTR1A (0.60) DRD2SLC6A4HTR1AHTR7HTR2A
SCHEMBL27510973 0.89 DRD2 (0.54) DRD2SLC6A4ADRA1DADRA1BHTR1A
SCHEMBL8302931 0.86 OPRM1 (0.56) DRD2SLC6A4HTR1AHTR7HTR2A
SCHEMBL8297151 0.85 SLC6A4 (0.48) DRD2SLC6A4ADRA1DADRA1BHTR1A
SCHEMBL8296789 0.84 HTR1A (0.62) DRD2SLC6A4HTR1AHTR7HTR2A
SCHEMBL8298953 0.83 HTR1A (0.50) DRD2SLC6A4HTR1AHTR7KCNH2
SCHEMBL8301940 0.83 DRD2 (0.61) DRD2SLC6A4ADRA1DADRA1BHTR1A
SCHEMBL24279608 0.83 DRD2 (0.77) DRD2SLC6A4ADRA1DADRA1BHTR1A
SCHEMBL8878693 0.81 SLC6A4 (0.78) 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