SCHEMBL9301892

SCHEMBL9301892

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

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.67
KCNH2 Q12809 4/20 0.64
CACNA1G O43497 3/20 0.64
L3MBTL1 Q9Y468 1/20 0.61
MEN1 O00255 2/20 0.60
DRD4 P21917 1/20 0.60
ALDH1A1 P00352 2/20 0.59
RECQL P46063 1/20 0.58
MAPT P10636 3/20 0.57
KDM4E B2RXH2 2/20 0.56
GLA P06280 1/20 0.56
HSD17B10 Q99714 1/20 0.56
LMNA P02545 1/20 0.56
MAPK1 P28482 1/20 0.55
NLRP3 Q96P20 1/20 0.55
CYP2D6 P10635 2/20 0.55
TSHR P16473 1/20 0.55
HIF1A Q16665 1/20 0.55

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
SCHEMBL9302848 0.91 L3MBTL1 (0.74) KMT2AL3MBTL1MEN1DRD4ALDH1A1
SCHEMBL9301174 0.90 KMT2A (0.73) KMT2AKCNH2CACNA1GL3MBTL1MEN1
SCHEMBL9192429 0.88 KCNH2 (0.64) KMT2AKCNH2CACNA1GL3MBTL1DRD4
SCHEMBL11365346 0.84 KCNH2 (0.86) KMT2AKCNH2CACNA1GL3MBTL1DRD4
SCHEMBL9303300 0.84 L3MBTL1 (0.70) KMT2AL3MBTL1MEN1DRD4ALDH1A1
SCHEMBL9271436 0.83 CACNA1G (0.67) KMT2AKCNH2CACNA1GMEN1RECQL
SCHEMBL13621747 0.83 CACNA1G (0.87) KMT2AKCNH2CACNA1GL3MBTL1MEN1
SCHEMBL31510197 0.82 KMT2A (0.66) KMT2AKCNH2CACNA1GL3MBTL1MEN1
SCHEMBL9193205 0.81 L3MBTL1 (0.59) KMT2AKCNH2CACNA1GL3MBTL1MEN1
SCHEMBL9300865 0.81 KDM4E (0.53) KMT2AKCNH2CACNA1GL3MBTL1MEN1

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