SCHEMBL4746791

SCHEMBL4746791

COc1ccc(C2CCN(CCNCc3nc(C4(c5ccc(Cl)cc5)CCC4)no3)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
ALDH1A1 P00352 1/20 0.51
DRD2 P14416 5/20 0.43
SIGMAR1 Q99720 3/20 0.38
HTR1A P08908 2/20 0.38
HTR2A P28223 2/20 0.38
HTR7 P34969 1/20 0.38
HTR6 P50406 1/20 0.38
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
CCR1 P32246 1/20 0.37
DRD1 P21728 1/20 0.36
DRD5 P21918 1/20 0.36
DRD3 P35462 1/20 0.36
DRD4 P21917 2/20 0.36
CCR2 P41597 2/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL4747652 0.93 KMT2A (0.52) KMT2AMEN1ALDH1A1DRD2SIGMAR1
SCHEMBL4748236 0.91 DRD2 (0.46) KMT2AMEN1ALDH1A1DRD2SIGMAR1
SCHEMBL4746736 0.89 MEN1 (0.49) KMT2AMEN1ALDH1A1DRD2SIGMAR1
SCHEMBL4748294 0.87 KMT2A (0.49) KMT2AMEN1ALDH1A1DRD2SIGMAR1
SCHEMBL4744808 0.86 DRD2 (0.45) KMT2AMEN1ALDH1A1DRD2LMNA
SCHEMBL4747161 0.85 ALDH1A1 (0.46) KMT2AMEN1ALDH1A1DRD2SIGMAR1
Hydrochloric Acid SCHEMBL4744993 0.85 DRD2 (0.44) KMT2AMEN1ALDH1A1DRD2LMNA
SCHEMBL4747840 0.85 MEN1 (0.44) KMT2AMEN1ALDH1A1DRD2LMNA
SCHEMBL4744482 0.84 MEN1 (0.46) KMT2AMEN1ALDH1A1DRD2LMNA
SCHEMBL4748754 0.84 MEN1 (0.45) KMT2AMEN1ALDH1A1DRD2SIGMAR1

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 1 patent. 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