SCHEMBL4748742

SCHEMBL4748742

COc1ccccc1C1CCN(CCNCc2nc(C3(c4ccc(C)cc4)CCC3)no2)CC1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.52
MEN1 O00255 8/20 0.52
ALDH1A1 P00352 2/20 0.52
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
DRD2 P14416 2/20 0.43
RBP1 P09455 3/20 0.41
HTT P42858 1/20 0.41
CACNA1G O43497 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GRM2 Q14416 1/20 0.39
DRD4 P21917 1/20 0.39

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
SCHEMBL4748282 0.94 DRD2 (0.45) KMT2AMEN1ALDH1A1DRD2GRM2
SCHEMBL4747840 0.94 MEN1 (0.44) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL4744808 0.93 DRD2 (0.45) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL4747647 0.93 MEN1 (0.46) KMT2AMEN1ALDH1A1DRD2GRM2
SCHEMBL20328212 0.92 DRD2 (0.44) KMT2AMEN1ALDH1A1LMNAMAPT
Hydrochloric Acid SCHEMBL4744993 0.92 DRD2 (0.44) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL4744413 0.92 MEN1 (0.46) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL4747649 0.92 MEN1 (0.44) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL4744482 0.91 MEN1 (0.46) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL4747163 0.91 MEN1 (0.45) KMT2AMEN1ALDH1A1LMNAMAPT

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-2008117148-A1 SUBSTITUTED OXADIAZOLE ANALOGS AS CALCIUM CHANNEL ANTAGONISTS PFIZER PRODUCTS INC. (US) 2008-10-02 WO claimed
WO-2018118101-A1 T-TYPE CALCIUM CHANNEL MODULATORS AND METHODS OF USE THEREOF PRAXIS PRECISION MEDICINES, INC. (US) 2018-06-28 WO disclosed
WO-2008117148-A1 SUBSTITUTED OXADIAZOLE ANALOGS AS CALCIUM CHANNEL ANTAGONISTS PFIZER PRODUCTS INC. (US) 2008-10-02 WO disclosed