SCHEMBL9301174

SCHEMBL9301174

OC(COc1ccc(Cl)cc1)CN1CCN(CC(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.73
KCNH2 Q12809 4/20 0.70
CACNA1G O43497 4/20 0.70
L3MBTL1 Q9Y468 1/20 0.68
MEN1 O00255 2/20 0.66
DRD4 P21917 1/20 0.65
RECQL P46063 1/20 0.63
KDM4E B2RXH2 2/20 0.62
MAPT P10636 3/20 0.61
CYP2D6 P10635 2/20 0.60
TSHR P16473 2/20 0.60
HIF1A Q16665 1/20 0.60
ALDH1A1 P00352 1/20 0.60
LMNA P02545 1/20 0.60
MAPK1 P28482 1/20 0.60
NLRP3 Q96P20 1/20 0.60
GLA P06280 1/20 0.58
USP2 O75604 1/20 0.58

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
SCHEMBL9301892 0.90 KMT2A (0.67) KMT2AKCNH2CACNA1GL3MBTL1MEN1
SCHEMBL11365346 0.89 KCNH2 (0.86) KMT2AKCNH2CACNA1GL3MBTL1DRD4
SCHEMBL13621747 0.87 CACNA1G (0.87) KMT2AKCNH2CACNA1GL3MBTL1MEN1
SCHEMBL31510197 0.87 KMT2A (0.66) KMT2AKCNH2CACNA1GL3MBTL1MEN1
SCHEMBL11240406 0.83 L3MBTL1 (0.97) KMT2AL3MBTL1MEN1DRD4KDM4E
SCHEMBL3970369 0.83 L3MBTL1 (0.97) KMT2AL3MBTL1MEN1DRD4KDM4E
SCHEMBL4577971 0.83 L3MBTL1 (0.97) KMT2AL3MBTL1MEN1DRD4KDM4E
SCHEMBL9192429 0.83 KCNH2 (0.64) KMT2AKCNH2CACNA1GL3MBTL1DRD4
SCHEMBL22639683 0.82 ATM (0.85) KMT2AKCNH2CACNA1GKDM4EMAPT
SCHEMBL7953079 0.82 ATM (0.85) KMT2AKCNH2CACNA1GKDM4EMAPT

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