SCHEMBL8169598

SCHEMBL8169598

O=c1cccccc1N1CCN(Cc2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.59
ALDH1A1 P00352 2/20 0.59
GAA P10253 2/20 0.59
LMNA P02545 2/20 0.57
FAAH O00519 1/20 0.57
TSHR P16473 1/20 0.53
SIGMAR1 Q99720 3/20 0.53
SERPINE1 P05121 1/20 0.51
POLB P06746 1/20 0.50
CHRM3 P20309 1/20 0.50
SRPK1 Q96SB4 1/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
HTT P42858 1/20 0.49

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
SCHEMBL8169555 0.90 CASP1 (0.49) KDM4EALDH1A1GAALMNAFAAH
SCHEMBL8168480 0.86 SIGMAR1 (0.54) KDM4EALDH1A1LMNAFAAHSIGMAR1
SCHEMBL6863328 0.85 KDM4E (0.62) KDM4EALDH1A1GAALMNAFAAH
SCHEMBL6863480 0.83 SIGMAR1 (0.67) KDM4EALDH1A1GAALMNAFAAH
SCHEMBL8311608 0.82 MAPT (0.62) ALDH1A1SIGMAR1KMT2AMEN1HTT
SCHEMBL8173934 0.81 SIGMAR1 (0.70) KDM4EALDH1A1GAAFAAHTSHR
SCHEMBL8172252 0.81 POLB (0.64) KDM4EFAAHPOLBKMT2AMEN1
SCHEMBL8173670 0.81 ALDH1A1 (0.57) KDM4EALDH1A1LMNAFAAHHTT
SCHEMBL11091530 0.80 MAPT (0.59) ALDH1A1LMNATSHRSIGMAR1KMT2A
SCHEMBL6862996 0.79 KDM4E (0.74) KDM4EALDH1A1GAALMNATSHR

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2000516629-A 2000-12-12 JP claimed
EP-0929537-A1 TROPONYL PIPERAZINES AS SELECTIVE DOPAMINE D4 RECEPTOR LIGANDS HOECHST MARION ROUSSEL, INC. (US) 1999-07-21 EP claimed
WO-1998007711-A1 TROPONYL PIPERAZINES AS SELECTIVE DOPAMINE D4 RECEPTOR LIGANDS HOECHST MARION ROUSSEL, INC. (US) 1998-02-26 WO claimed
US-5998414-A PSYCHOLOGICAL DISORDERS HOECHST MARION ROUSSEL, INC. (US) 1999-12-07 US disclosed
EP-0929537-A1 TROPONYL PIPERAZINES AS SELECTIVE DOPAMINE D4 RECEPTOR LIGANDS HOECHST MARION ROUSSEL, INC. (US) 1999-07-21 EP disclosed
WO-1998007711-A1 TROPONYL PIPERAZINES AS SELECTIVE DOPAMINE D4 RECEPTOR LIGANDS HOECHST MARION ROUSSEL, INC. (US) 1998-02-26 WO disclosed