SCHEMBL8299251

SCHEMBL8299251

[CH2]CN1CCC(c2c[nH]c3cc(F)ccc23)CC1

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.73
SLC6A4 P31645 4/20 0.73
ADRA1D P25100 3/20 0.70
ADRA1B P35368 1/20 0.60
OPRM1 P35372 3/20 0.57
OPRL1 P41146 3/20 0.57
OPRK1 P41145 2/20 0.57
HTR2A P28223 6/20 0.55
HTR7 P34969 3/20 0.55
KCNH2 Q12809 3/20 0.55
HTR1A P08908 5/20 0.54
DRD1 P21728 2/20 0.52
HTR2C P28335 2/20 0.52
DRD3 P35462 2/20 0.52
HTR6 P50406 2/20 0.52
HTR1D P28221 1/20 0.51
HTR1B P28222 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
SCHEMBL8878693 0.85 SLC6A4 (0.78) DRD2SLC6A4ADRA1DADRA1BOPRM1
SCHEMBL8877539 0.83 ADRA1D (0.79) DRD2SLC6A4ADRA1DADRA1BHTR2A
Hydrochloric Acid SCHEMBL7823788 0.82 ADRA1D (1.00) DRD2SLC6A4ADRA1DADRA1BOPRM1
SCHEMBL7256770 0.82 ADRA1D (0.77) DRD2SLC6A4ADRA1DADRA1BHTR2A
Hydrochloric Acid SCHEMBL7867314 0.81 DRD2 (0.73) DRD2SLC6A4ADRA1DADRA1BOPRM1
Bromide SCHEMBL7870891 0.81 DRD2 (0.73) DRD2SLC6A4ADRA1DADRA1BOPRM1
SCHEMBL4475225 0.81 ADRA1D (0.67) SLC6A4ADRA1D
SCHEMBL24279608 0.80 DRD2 (0.77) DRD2SLC6A4ADRA1DADRA1BOPRM1
SCHEMBL7260105 0.80 ADRA1D (0.74) DRD2SLC6A4ADRA1DADRA1BOPRM1
SCHEMBL11996944 0.80 ADRA1D (0.71) DRD2SLC6A4ADRA1DADRA1BOPRM1

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-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