SCHEMBL9301208

SCHEMBL9301208

OC(COc1cccc(C(F)(F)F)c1)CN1CCN(CCCC(c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.61
CACNA1G O43497 6/20 0.55
KCNH2 Q12809 4/20 0.55
PRMT5 O14744 3/20 0.51
WDR77 Q9BQA1 3/20 0.51
SCN1A P35498 2/20 0.50
SCN5A Q14524 2/20 0.50
SCN9A Q15858 2/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
TP53 P04637 1/20 0.48
ACE2 Q9BYF1 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL9301814 0.94 CYP2D6 (0.54) CYP2D6CACNA1GKCNH2PRMT5WDR77
SCHEMBL9302021 0.92 CYP2D6 (0.58) CYP2D6CACNA1GKCNH2PRMT5WDR77
SCHEMBL9301847 0.87 CACNA1G (0.64) CYP2D6CACNA1GKCNH2PRMT5WDR77
SCHEMBL9301158 0.86 CACNA1G (0.67) CYP2D6CACNA1GKCNH2SCN1ASCN5A
SCHEMBL9301487 0.81 CYP2D6 (0.55) CYP2D6CACNA1GKCNH2SCN1ASCN5A
SCHEMBL9303300 0.81 L3MBTL1 (0.70) CYP2D6L3MBTL1LMNAMAPT
SCHEMBL9189672 0.80 CACNA1G (0.60) CACNA1GKCNH2SMN1; SMN2TP53MAPT
SCHEMBL10379764 0.80 L3MBTL1 (0.62) CYP2D6CACNA1GKCNH2L3MBTL1MAPT
SCHEMBL9187274 0.78 MAPT (0.60) CACNA1GKCNH2L3MBTL1MAPT
SCHEMBL9302474 0.77 L3MBTL1 (0.64) CYP2D6TP53L3MBTL1LMNAMAPT

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 2 patents. 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
WO-1990003371-A1 2-HYDROXY-3-PHENOXY-PROPYL-SUBSTITUTED PIPERAZINES AND HOMOPIPERAZINES, THEIR MANUFACTURE AND USE BASF AKTIENGESELLSCHAFT (DE) 1990-04-05 WO disclosed