SCHEMBL4747840

SCHEMBL4747840

COc1ccc(C2(c3noc(CNCCN4CCC(c5ccccc5OC)CC4)n3)CCC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.44
KMT2A Q03164 7/20 0.44
ALDH1A1 P00352 1/20 0.44
DRD2 P14416 2/20 0.43
GRM2 Q14416 1/20 0.39
DRD4 P21917 1/20 0.37
NTSR1 P30989 3/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
OPRM1 P35372 1/20 0.36

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
SCHEMBL4744413 0.98 MEN1 (0.46) MEN1KMT2AALDH1A1DRD2GRM2
SCHEMBL4748282 0.94 DRD2 (0.45) MEN1KMT2AALDH1A1DRD2GRM2
SCHEMBL4748742 0.94 KMT2A (0.52) MEN1KMT2AALDH1A1DRD2GRM2
SCHEMBL4744808 0.93 DRD2 (0.45) MEN1KMT2AALDH1A1DRD2GRM2
SCHEMBL4747647 0.93 MEN1 (0.46) MEN1KMT2AALDH1A1DRD2GRM2
SCHEMBL20328212 0.92 DRD2 (0.44) MEN1KMT2AALDH1A1DRD2GRM2
Hydrochloric Acid SCHEMBL4744993 0.92 DRD2 (0.44) MEN1KMT2AALDH1A1DRD2GRM2
SCHEMBL4744482 0.91 MEN1 (0.46) MEN1KMT2AALDH1A1DRD2GRM2
SCHEMBL4747163 0.91 MEN1 (0.45) MEN1KMT2AALDH1A1DRD2GRM2
SCHEMBL4748790 0.90 DRD2 (0.46) MEN1KMT2AALDH1A1DRD2GRM2

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
WO-2008117148-A1 SUBSTITUTED OXADIAZOLE ANALOGS AS CALCIUM CHANNEL ANTAGONISTS PFIZER PRODUCTS INC. (US) 2008-10-02 WO claimed
WO-2008117148-A1 SUBSTITUTED OXADIAZOLE ANALOGS AS CALCIUM CHANNEL ANTAGONISTS PFIZER PRODUCTS INC. (US) 2008-10-02 WO disclosed