SCHEMBL8963659

SCHEMBL8963659

COc1ccc(-c2nc(CN3CCN(C(c4ccccc4)c4ccccc4)CC3)c(C)[nH]2)c(OC)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.52
DRD2 P14416 4/20 0.51
DRD4 P21917 4/20 0.51
DRD3 P35462 4/20 0.51
TSHR P16473 1/20 0.46
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 2/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
NOD2 Q9HC29 1/20 0.42
ALDH1A1 P00352 1/20 0.42
THRB P10828 1/20 0.42
HPGD P15428 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
USP2 O75604 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40

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
SCHEMBL8963754 0.89 MAPT (0.53) MAPTDRD2DRD4DRD3GAA
SCHEMBL8964060 0.85 DRD2 (0.53) MAPTDRD2DRD4DRD3GAA
SCHEMBL8963551 0.85 DRD2 (0.51) MAPTDRD2DRD4DRD3GAA
SCHEMBL9424936 0.83 MAPT (0.53) MAPTDRD2DRD4DRD3TSHR
SCHEMBL8963541 0.81 DRD2 (0.49) MAPTDRD2DRD4DRD3GAA
SCHEMBL8963668 0.79 DRD2 (0.64) MAPTDRD2DRD4DRD3GAA
SCHEMBL8963948 0.79 DRD3 (0.47) MAPTDRD2DRD4DRD3GAA
SCHEMBL8963520 0.78 DRD2 (0.45) MAPTDRD2DRD4DRD3GAA
SCHEMBL8963729 0.77 DRD2 (0.46) MAPTDRD2DRD4DRD3LMNA
SCHEMBL8969984 0.77 LMNA (0.47) MAPTDRD2DRD4DRD3GAA

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
US-5514800-A CALCIUM CHANNEL BLOCKERS, CEREBRAL ISCHEMIA SYNTEX PHARMACEUTICALS, LTD. (GB) 1996-05-07 US disclosed