SCHEMBL9301847

SCHEMBL9301847

OC(COc1ccc(Cl)c(Cl)c1)CN1CCN(CCCC(c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 8/20 0.64
KCNH2 Q12809 6/20 0.64
CYP2D6 P10635 5/20 0.54
KMT2A Q03164 1/20 0.47
SCN1A P35498 2/20 0.45
SCN5A Q14524 2/20 0.45
SCN9A Q15858 2/20 0.45
PRMT5 O14744 1/20 0.45
WDR77 Q9BQA1 1/20 0.45
ATF4 P18848 3/20 0.44

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
SCHEMBL9301460 0.89 CACNA1G (0.62) CACNA1GKCNH2KMT2AATF4
SCHEMBL9300865 0.88 KDM4E (0.53) CACNA1GKCNH2KMT2A
SCHEMBL9302021 0.88 CYP2D6 (0.58) CACNA1GKCNH2CYP2D6SCN1ASCN5A
SCHEMBL9301208 0.87 CYP2D6 (0.61) CACNA1GKCNH2CYP2D6SCN1ASCN5A
SCHEMBL9301158 0.86 CACNA1G (0.67) CACNA1GKCNH2CYP2D6KMT2ASCN1A
SCHEMBL9301487 0.81 CYP2D6 (0.55) CACNA1GKCNH2CYP2D6SCN1ASCN5A
SCHEMBL9301814 0.81 CYP2D6 (0.54) CACNA1GKCNH2CYP2D6KMT2ASCN1A
SCHEMBL9192429 0.81 KCNH2 (0.64) CACNA1GKCNH2KMT2A
SCHEMBL9187274 0.78 MAPT (0.60) CACNA1GKCNH2KMT2A
SCHEMBL9271436 0.78 CACNA1G (0.67) CACNA1GKCNH2KMT2A

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