SCHEMBL9302021

SCHEMBL9302021

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

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.58
CACNA1G O43497 7/20 0.54
KCNH2 Q12809 3/20 0.52
PRMT5 O14744 4/20 0.48
WDR77 Q9BQA1 4/20 0.48
RECQL P46063 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
SCN1A P35498 2/20 0.47
SCN5A Q14524 2/20 0.47
SCN9A Q15858 2/20 0.47
TP53 P04637 2/20 0.46
ACE2 Q9BYF1 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL9301208 0.92 CYP2D6 (0.61) CYP2D6CACNA1GKCNH2PRMT5WDR77
SCHEMBL9189672 0.90 CACNA1G (0.60) CACNA1GKCNH2RECQLSMN1; SMN2TP53
SCHEMBL9301847 0.88 CACNA1G (0.64) CYP2D6CACNA1GKCNH2PRMT5WDR77
SCHEMBL9301814 0.86 CYP2D6 (0.54) CYP2D6CACNA1GKCNH2PRMT5WDR77
SCHEMBL9301158 0.84 CACNA1G (0.67) CYP2D6CACNA1GKCNH2SCN1ASCN5A
SCHEMBL9192429 0.80 KCNH2 (0.64) CACNA1GKCNH2RECQLMAPT
SCHEMBL9301487 0.79 CYP2D6 (0.55) CYP2D6CACNA1GKCNH2SCN1ASCN5A
SCHEMBL9303300 0.78 L3MBTL1 (0.70) CYP2D6MAPT
SCHEMBL10379764 0.78 L3MBTL1 (0.62) CYP2D6CACNA1GKCNH2MAPT
SCHEMBL9300865 0.77 KDM4E (0.53) CACNA1GKCNH2SMN1; SMN2TP53MAPT

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 3 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
EP-0435902-A1 2-HYDROXY-3-PHENOXY-PROPYL-SUBSTITUTED PIPERAZINES AND HOMOPIPERAZINES, THEIR MANUFACTURE AND USE. BASF AG (DE) 1991-07-10 EP 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