SCHEMBL8296229

SCHEMBL8296229

O=C(CN1CCC(c2c[nH]c3cc(F)ccc23)CC1)Nc1ccccn1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.54
SLC6A4 P31645 2/20 0.54
MEN1 O00255 1/20 0.53
HTT P42858 1/20 0.53
KMT2A Q03164 1/20 0.53
ADRA1D P25100 3/20 0.52
ADRA1B P35368 1/20 0.51
HTR2A P28223 4/20 0.49
HTR7 P34969 3/20 0.49
KCNH2 Q12809 3/20 0.49
HTR1D P28221 4/20 0.47
HTR1A P08908 2/20 0.47
HTR1B P28222 2/20 0.47
HTR1F P30939 1/20 0.47
OPRM1 P35372 1/20 0.46
OPRL1 P41146 1/20 0.46
DRD4 P21917 1/20 0.45

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
SCHEMBL8299590 0.95 DRD2 (0.51) DRD2SLC6A4MEN1HTTKMT2A
SCHEMBL8296251 0.93 OPRM1 (0.53) DRD2SLC6A4MEN1HTTKMT2A
SCHEMBL7845970 0.88 KMT2A (0.58) DRD2MEN1HTTKMT2AADRA1D
SCHEMBL8297198 0.88 HSD11B1 (0.53) DRD2MEN1HTTKMT2AHTR7
SCHEMBL8522680 0.86 MEN1 (0.50) DRD2MEN1HTTKMT2AKCNH2
SCHEMBL8300248 0.84 DRD2 (0.60) DRD2SLC6A4HTTADRA1DHTR2A
SCHEMBL8301940 0.83 DRD2 (0.61) DRD2SLC6A4ADRA1DADRA1BHTR2A
SCHEMBL8298950 0.82 MEN1 (0.47) DRD2SLC6A4MEN1HTTKMT2A
SCHEMBL8298661 0.81 MEN1 (0.50) SLC6A4MEN1HTTKMT2AKCNH2
SCHEMBL7843427 0.81 MEN1 (0.52) SLC6A4MEN1HTTKMT2A

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