SCHEMBL8304327

SCHEMBL8304327

O=C(Nc1ccc(F)cc1)C(N1CCC(c2cccc3ccccc23)C1)N1CCC(c2cccc3ccccc23)C1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.39
ALDH1A1 P00352 3/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 3/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KMT2A Q03164 1/20 0.38
DRD2 P14416 1/20 0.38
SLC6A4 P31645 1/20 0.38
RECQL P46063 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
NAMPT P43490 1/20 0.38
GRIN2B Q13224 1/20 0.37
DRD4 P21917 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37

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
SCHEMBL8299569 0.80 DRD4 (0.56) ALDH1A1LMNAKDM4EKMT2ADRD2
SCHEMBL8296404 0.76 DRD4 (0.60) ALDH1A1LMNAKDM4EDRD2SLC6A4
SCHEMBL12386856 0.67 SLC6A4 (0.56) KDM4EKMT2ADRD2SLC6A4HRH3
SCHEMBL9674195 0.66 ADRA1A (0.58) ALDH1A1MAPTKDM4EHSD17B10DRD2
Hydrochloric Acid SCHEMBL9323862 0.65 ADRA1A (0.57) ALDH1A1MAPTKDM4EHSD17B10DRD2
SCHEMBL30881666 0.65 LMNA (0.52) ALDH1A1LMNAMAPTNPC1RAB9A
SCHEMBL29209685 0.65 LMNA (0.52) ALDH1A1LMNAMAPTNPC1RAB9A
SCHEMBL28805535 0.65 HRH3 (0.56) ALDH1A1KDM4EKMT2ADRD2SLC6A4
SCHEMBL12000672 0.64 DRD2 (0.49) DRD2SLC6A4GAAHRH3
SCHEMBL9324793 0.64 DRD2 (0.51) LMNAPKMKMT2ADRD2SLC6A4

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