SCHEMBL4744798

SCHEMBL4744798

COc1ccccc1C1CCN(CCNCc2nc(C3(c4ccc(Cl)c(Cl)c4)CC3)no2)CC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.47
KMT2A Q03164 7/20 0.47
ATM Q13315 1/20 0.47
DRD2 P14416 2/20 0.42
ALDH1A1 P00352 1/20 0.40
CCR2 P41597 1/20 0.39
GRM2 Q14416 1/20 0.38
TACR1 P25103 1/20 0.37
OPRM1 P35372 1/20 0.37
DRD4 P21917 2/20 0.36
HTR2C P28335 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
SCHEMBL4747097 0.97 MEN1 (0.46) MEN1KMT2AATMDRD2ALDH1A1
SCHEMBL4748790 0.91 DRD2 (0.46) MEN1KMT2AATMDRD2ALDH1A1
SCHEMBL4744808 0.88 DRD2 (0.45) MEN1KMT2AATMDRD2ALDH1A1
SCHEMBL4744737 0.88 DRD4 (0.46) MEN1KMT2AATMDRD2ALDH1A1
SCHEMBL4744482 0.88 MEN1 (0.46) MEN1KMT2AATMDRD2ALDH1A1
SCHEMBL4744901 0.88 MEN1 (0.43) MEN1KMT2AATMDRD2ALDH1A1
Hydrochloric Acid SCHEMBL4744993 0.88 DRD2 (0.44) MEN1KMT2AATMDRD2ALDH1A1
SCHEMBL4747163 0.88 MEN1 (0.45) MEN1KMT2AATMDRD2ALDH1A1
SCHEMBL4744828 0.87 DRD2 (0.43) MEN1KMT2AATMDRD2ALDH1A1
SCHEMBL4744878 0.87 MEN1 (0.50) MEN1KMT2AATMDRD2GRM2

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