SCHEMBL7777404

SCHEMBL7777404

O=CN1CCN(C(c2ccccc2)(c2ccccc2)c2ccccc2Cl)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 3/20 0.46
KCNA3 P22001 2/20 0.46
TSHR P16473 3/20 0.44
RAB9A P51151 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
KMT2A Q03164 2/20 0.44
HTR2A P28223 2/20 0.44
HTR2C P28335 2/20 0.44
OPRK1 P41145 2/20 0.44
KCNH2 Q12809 2/20 0.44
LMNA P02545 2/20 0.44
OPRM1 P35372 2/20 0.44
MEN1 O00255 1/20 0.44
SLC22A1 O15245 1/20 0.44
NR1I2 O75469 1/20 0.44
GMNN O75496 1/20 0.44
USP2 O75604 1/20 0.44
TRPM2 O94759 1/20 0.44
ABCB11 O95342 1/20 0.44
EGFR P00533 1/20 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
SCHEMBL28883700 0.84 AKR1C1 (0.39) KCNN4TSHRRAB9AL3MBTL1KMT2A
SCHEMBL7769823 0.78 KCNN4 (0.48) KCNN4KCNA3TSHRRAB9AL3MBTL1
SCHEMBL5280949 0.78 KCNN4 (0.48) KCNN4KCNA3TSHRRAB9AL3MBTL1
SCHEMBL5481230 0.74 KCNN4 (0.50) KCNN4KCNA3TSHRRAB9AL3MBTL1
SCHEMBL15587141 0.73 KCNN4 (0.46) KCNN4KCNA3TSHRRAB9AL3MBTL1
SCHEMBL9650536 0.70 CYP2B6 (0.46) KCNN4TSHRHTR2AKCNH2LMNA
SCHEMBL5479925 0.68 CYP19A1 (0.66) KCNN4KCNA3TSHRRAB9AL3MBTL1
SCHEMBL5481989 0.67 KCNN4 (0.49) KCNN4KCNA3TSHRRAB9AL3MBTL1
SCHEMBL12856108 0.67 KCNN4 (0.49) KCNN4KCNA3TSHRRAB9AL3MBTL1
SCHEMBL2323800 0.66 ADRB1 (0.55) RAB9ALMNAADRB1DRD2DRD4

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
EP-0574906-B1 Piperazine and homopiperazine derivatives, pharmaceutical compositions containing them and process for preparing the same NISSHIN FLOUR MILLING CO (JP) 2001-08-22 EP disclosed
US-5380724-A Inhibitors of lipid peroxidation GYOGYSZERKUTATO INTEZET KFT (HU) 1995-01-10 US disclosed
EP-0574906-A2 Piperazine and homopiperazine derivatives, pharmaceutical compositions containing them and process for preparing the same NISSHIN FLOUR MILLING CO., LTD. (JP) 1993-12-22 EP disclosed