SCHEMBL8299569

SCHEMBL8299569

O=C(CN1CCC(c2cccc3ccccc23)C1)Nc1ccc(F)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 5/20 0.56
SMN1; SMN2 Q16637 3/20 0.53
LMNA P02545 2/20 0.53
HTT P42858 1/20 0.53
ALDH1A1 P00352 4/20 0.52
KDM4E B2RXH2 1/20 0.52
THRB P10828 1/20 0.52
ATM Q13315 1/20 0.49
REV1 Q9UBZ9 2/20 0.48
IDO1 P14902 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
DRD2 P14416 1/20 0.46
SLC6A4 P31645 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
SCHEMBL8296404 0.94 DRD4 (0.60) DRD4SMN1; SMN2LMNAHTTALDH1A1
SCHEMBL8297268 0.80 DRD4 (0.56) DRD4SMN1; SMN2LMNAHTTALDH1A1
SCHEMBL8298230 0.80 HTT (0.57) DRD4SMN1; SMN2LMNAHTTALDH1A1
SCHEMBL8304327 0.80 F10 (0.39) DRD4LMNAHTTALDH1A1KDM4E
SCHEMBL17731134 0.78 DRD4 (0.67) DRD4SMN1; SMN2LMNAHTTALDH1A1
SCHEMBL8300501 0.77 DRD4 (0.60) DRD4SMN1; SMN2LMNAHTTALDH1A1
SCHEMBL8296828 0.76 DRD2 (0.56) SMN1; SMN2LMNAHTTDRD2SLC6A4
SCHEMBL8297273 0.76 HTR1D (0.62) DRD2
SCHEMBL4005976 0.76 DRD4 (0.55) DRD4SMN1; SMN2LMNAHTTALDH1A1
SCHEMBL8230021 0.75 ALDH1A1 (0.63) DRD4SMN1; SMN2LMNAHTTALDH1A1

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