SCHEMBL7570962

SCHEMBL7570962

c1ccc(C(c2ccccc2)c2ccc3c(c2)CCN3)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
ATM Q13315 2/20 0.51
DRD2 P14416 1/20 0.49
DRD4 P21917 1/20 0.49
MAPT P10636 4/20 0.39
GAA P10253 2/20 0.39
TSHR P16473 1/20 0.39
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
KDM4E B2RXH2 3/20 0.38
TBXAS1 P24557 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
NPC1 O15118 2/20 0.37
USP2 O75604 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL5780933 0.77 ALDH1A1 (0.50) ALDH1A1ATMDRD2DRD4MAPT
SCHEMBL5780931 0.77 ALDH1A1 (0.50) ALDH1A1ATMDRD2DRD4MAPT
SCHEMBL22864623 0.77 DRD2 (0.53) ALDH1A1ATMDRD2DRD4MAPT
SCHEMBL1615697 0.77 DRD2 (0.53) ALDH1A1ATMDRD2DRD4MAPT
Hydrochloric Acid SCHEMBL5781969 0.76 ALDH1A1 (0.49) ALDH1A1ATMDRD2DRD4MAPT
SCHEMBL18792439 0.74 DRD2 (0.50) ALDH1A1ATMDRD2DRD4MAPT
SCHEMBL20664725 0.74 CYP19A1 (0.44) GAATSHRSLC6A2SLC6A4SLC6A3
SCHEMBL5176557 0.73 DRD2 (0.50) ALDH1A1ATMDRD2DRD4MAPT
SCHEMBL1436033 0.73 KDM4E (0.63) ALDH1A1ATMDRD2DRD4MAPT
SCHEMBL7260940 0.72 DRD2 (0.49) ALDH1A1ATMDRD2DRD4MAPT

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-2002070439-A2 AMINATION PROCESS JOHNSTON, JEFFREY, N. 2002-09-12 WO disclosed