SCHEMBL8558213

SCHEMBL8558213

CN1CCN(c2ccccc2C=C2CN(c3ccc(Cl)c(Cl)c3)CCS2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
HTT P42858 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
RECQL P46063 1/20 0.40
PTK2B Q14289 1/20 0.40
LMNA P02545 3/20 0.38
ALDH1A1 P00352 2/20 0.38
BCL2A1 Q16548 2/20 0.38
ALOX12 P18054 2/20 0.38
BCL2 P10415 1/20 0.38
BID P55957 1/20 0.38
RAD51 Q06609 1/20 0.38
BCL2L1 Q07817 1/20 0.38
BCL2L2 Q92843 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
DRD2 P14416 2/20 0.38
DRD3 P35462 2/20 0.38

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
SCHEMBL5606196 0.96 SLC6A2 (0.38) MAPTHTTKDM4EGAAMAPK1
SCHEMBL6254049 0.88 LMNA (0.39) MAPTHTTLMNAALDH1A1BCL2A1
SCHEMBL5598374 0.87 SLC6A2 (0.32) SLC6A2SLC6A4SLC6A3HIF1ACYP2D6
SCHEMBL22411187 0.86 SIGMAR1 (0.39) DRD2DRD3SLC6A2SLC6A4SLC6A3
SCHEMBL6252738 0.81 MAPT (0.40) MAPTHTTKDM4EGAAMAPK1
Hydrochloric Acid SCHEMBL27536771 0.81 DRD2 (0.41) MEN1KMT2ADRD2DRD3CYP2D6
SCHEMBL5160139 0.81 MEN1 (0.38) MAPTHTTKDM4EGAAMAPK1
Elzasonan SCHEMBL29379325 0.78 SLC6A2 (0.49) MAPTLMNAALDH1A1BCL2A1ALOX12
Elzasonan SCHEMBL5159337 0.78 SLC6A2 (0.49) MAPTLMNAALDH1A1BCL2A1ALOX12
Elzasonan SCHEMBL5159632 0.78 SLC6A2 (0.49) MAPTLMNAALDH1A1BCL2A1ALOX12

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
WO-2020183011-A1 HTR1D INHIBITORS AND USES THEREOF IN THE TREATMENT OF CANCER INSTITUT CURIE (FR) 2020-09-17 WO disclosed
EP-0929528-A1 ARALKYL AND ARALKYLIDENE HETEROCYCLIC LACTAMS AND IMIDES PFIZER INC. (US) 1999-07-21 EP disclosed
WO-1998014433-A1 ARALKYL AND ARALKYLIDENE HETEROCYCLIC LACTAMS AND IMIDES PFIZER INC. (US) 1998-04-09 WO disclosed