SCHEMBL5196369

SCHEMBL5196369

FC(F)(F)c1ccc(N2CCN(Cc3c[nH]c4ccccc34)CC2)nc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.60
HTT P42858 3/20 0.60
POLB P06746 1/20 0.60
TSHR P16473 1/20 0.60
BCHE P06276 1/20 0.59
CYP2D6 P10635 1/20 0.59
DRD4 P21917 6/20 0.57
DRD2 P14416 5/20 0.57
DRD3 P35462 5/20 0.57
L3MBTL1 Q9Y468 1/20 0.56
SRPK1 Q96SB4 2/20 0.55
HTR6 P50406 2/20 0.54
HTR2A P28223 1/20 0.54
HTR7 P34969 1/20 0.54
GAA P10253 1/20 0.53
GRM2 Q14416 1/20 0.53
KDM4E B2RXH2 1/20 0.52
MAPK1 P28482 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HDAC3 O15379 1/20 0.52

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
SCHEMBL5197670 0.85 HTR2A (0.76) LMNAPOLBTSHRCYP2D6DRD4
SCHEMBL8797561 0.81 KMT2A (0.56) LMNAHTTTSHRDRD4L3MBTL1
SCHEMBL5199448 0.81 DRD2 (0.55) LMNAHTTPOLBTSHRBCHE
SCHEMBL5196668 0.81 DRD2 (0.56) LMNAHTTPOLBTSHRBCHE
Hydrochloric Acid SCHEMBL9393795 0.80 KMT2A (0.55) LMNAHTTTSHRDRD4L3MBTL1
SCHEMBL946337 0.80 LMNA (0.77) LMNAHTTPOLBTSHRBCHE
SCHEMBL2131581 0.79 HCRTR2 (0.70)
SCHEMBL3612541 0.77 DGAT1 (0.52) LMNAPOLBDRD4DRD2DRD3
SCHEMBL2268646 0.76 AR (0.63) LMNAHTTPOLBTSHRBCHE
SCHEMBL12783901 0.75 BCHE (0.73) LMNAHTTPOLBTSHRBCHE

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
EP-1815866-A1 REMEDY OR PREVENTIVE FOR ISCHEMIC CARDIAC DISEASE OR ISCHEMIC CARDIAC MYOPATHY Neugen Pharma, Inc (JP) 2007-08-08 EP disclosed