SCHEMBL9301397

SCHEMBL9301397

OC(COc1ccc(F)cc1)CN1CCCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.57
ATM Q13315 1/20 0.55
TSHR P16473 2/20 0.55
CACNA1G O43497 5/20 0.55
KCNH2 Q12809 3/20 0.55
CYP2D6 P10635 2/20 0.54
CYP2C19 P33261 1/20 0.54
KMT2A Q03164 3/20 0.54
KDM4E B2RXH2 2/20 0.53
GLA P06280 1/20 0.53
MEN1 O00255 2/20 0.53
HIF1A Q16665 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
ABCB1 P08183 2/20 0.51
ALDH1A1 P00352 1/20 0.50

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
SCHEMBL9187274 0.97 MAPT (0.60) MAPTTSHRCACNA1GKCNH2KMT2A
SCHEMBL9193205 0.92 L3MBTL1 (0.59) MAPTTSHRCACNA1GKCNH2CYP2D6
SCHEMBL10379764 0.92 L3MBTL1 (0.62) MAPTTSHRCACNA1GKCNH2CYP2D6
SCHEMBL9301602 0.91 TSHR (0.64) MAPTTSHRCACNA1GKCNH2CYP2D6
SCHEMBL9271436 0.91 CACNA1G (0.67) MAPTTSHRCACNA1GKCNH2KMT2A
SCHEMBL9300891 0.91 TSHR (0.64) MAPTTSHRCACNA1GKCNH2CYP2D6
SCHEMBL9301222 0.89 MAPT (0.53) MAPTTSHRCACNA1GKCNH2KMT2A
SCHEMBL9301158 0.89 CACNA1G (0.67) MAPTTSHRCACNA1GKCNH2CYP2D6
SCHEMBL9300427 0.87 LMNA (0.59) MAPTTSHRCACNA1GKCNH2KMT2A
SCHEMBL9301630 0.86 MAPT (0.55) MAPTTSHRCACNA1GKCNH2CYP2D6

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-5342839-A Useful for therapy of oxygen deficiency diseases of the brain BASF AKTIENGESELLSCHAFT (DE) 1994-08-30 US disclosed