SCHEMBL4748282

SCHEMBL4748282

COc1ccccc1C1CCN(CCNCc2nc(C3(c4ccccc4)CCC3)no2)CC1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.45
MEN1 O00255 6/20 0.44
KMT2A Q03164 6/20 0.44
ALDH1A1 P00352 1/20 0.44
GRM2 Q14416 1/20 0.41
NTSR1 P30989 5/20 0.40
DRD4 P21917 1/20 0.39
CHRM4 P08173 1/20 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
SCHEMBL4747647 0.98 MEN1 (0.46) DRD2MEN1KMT2AALDH1A1GRM2
SCHEMBL4748742 0.94 KMT2A (0.52) DRD2MEN1KMT2AALDH1A1GRM2
SCHEMBL4747840 0.94 MEN1 (0.44) DRD2MEN1KMT2AALDH1A1GRM2
SCHEMBL4744808 0.94 DRD2 (0.45) DRD2MEN1KMT2AALDH1A1GRM2
SCHEMBL20328212 0.93 DRD2 (0.44) DRD2MEN1KMT2AALDH1A1GRM2
Hydrochloric Acid SCHEMBL4744993 0.93 DRD2 (0.44) DRD2MEN1KMT2AALDH1A1GRM2
SCHEMBL4744413 0.93 MEN1 (0.46) DRD2MEN1KMT2AALDH1A1GRM2
SCHEMBL4747649 0.92 MEN1 (0.44) DRD2MEN1KMT2AALDH1A1GRM2
SCHEMBL4744482 0.92 MEN1 (0.46) DRD2MEN1KMT2AALDH1A1GRM2
SCHEMBL4747163 0.91 MEN1 (0.45) DRD2MEN1KMT2AALDH1A1GRM2

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