SCHEMBL8300501

SCHEMBL8300501

O=C(CN1CCC(c2ccc3ccccc3c2)CC1)Nc1ccc(F)cc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 7/20 0.60
SMN1; SMN2 Q16637 3/20 0.57
LMNA P02545 2/20 0.57
HTT P42858 1/20 0.57
ALDH1A1 P00352 6/20 0.56
KDM4E B2RXH2 1/20 0.56
THRB P10828 1/20 0.56
DRD2 P14416 4/20 0.54
DRD3 P35462 3/20 0.54
ATM Q13315 1/20 0.53
REV1 Q9UBZ9 1/20 0.52
SLC6A4 P31645 1/20 0.50
NPC1 O15118 1/20 0.50
USP2 O75604 1/20 0.50
HPGD P15428 1/20 0.50

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
SCHEMBL8297268 0.94 DRD4 (0.56) DRD4SMN1; SMN2LMNAHTTALDH1A1
SCHEMBL8441064 0.89 DRD4 (0.56) DRD4SMN1; SMN2LMNAHTTALDH1A1
SCHEMBL17731134 0.86 DRD4 (0.67) DRD4SMN1; SMN2LMNAHTTALDH1A1
SCHEMBL7476441 0.81 LMNA (0.64) DRD4SMN1; SMN2LMNAHTTALDH1A1
SCHEMBL8296404 0.80 DRD4 (0.60) DRD4SMN1; SMN2LMNAHTTALDH1A1
SCHEMBL8304361 0.80 MEN1 (0.61) DRD4SMN1; SMN2LMNAHTTALDH1A1
SCHEMBL8299569 0.77 DRD4 (0.56) DRD4SMN1; SMN2LMNAHTTALDH1A1
SCHEMBL3454062 0.77 ALDH1A1 (0.73) DRD4SMN1; SMN2LMNAHTTALDH1A1
SCHEMBL4003996 0.76 DRD4 (0.69) DRD4SMN1; SMN2LMNAHTTALDH1A1
SCHEMBL4003794 0.75 DRD4 (1.00) DRD4

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