SCHEMBL4753312

SCHEMBL4753312

Cc1ccc2ccccc2c1CN1CCN(Cc2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.55
LMNA P02545 3/20 0.54
POLB P06746 1/20 0.54
KMT2A Q03164 4/20 0.54
MC4R P32245 1/20 0.51
KDM4E B2RXH2 6/20 0.51
ALDH1A1 P00352 5/20 0.51
MAPT P10636 5/20 0.51
HPGD P15428 2/20 0.51
HTT P42858 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
MEN1 O00255 1/20 0.51
GAA P10253 2/20 0.50
NCF1 P14598 1/20 0.49
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
USP2 O75604 1/20 0.47
ALOX15 P16050 1/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL20149549 0.84 CRHBP (0.68) LMNAPOLBKMT2AKDM4EALDH1A1
SCHEMBL4750798 0.80 KDM4E (0.56) LMNAPOLBKMT2AKDM4EALDH1A1
SCHEMBL10598309 0.75 CYP1A2 (0.50) KMT2AALDH1A1HSD17B10
SCHEMBL29417917 0.75 CYP1A2 (0.50) KMT2AALDH1A1HSD17B10
SCHEMBL15800713 0.74 ACHE (0.62) SIGMAR1LMNAKMT2AKDM4EALDH1A1
SCHEMBL1415730 0.74 SIGMAR1 (1.00) SIGMAR1LMNAPOLBKMT2AMC4R
SCHEMBL1041303 0.74 SIGMAR1 (1.00) SIGMAR1LMNAPOLBKMT2AMC4R
SCHEMBL2489199 0.74 SIGMAR1 (1.00) SIGMAR1LMNAPOLBKMT2AMC4R
SCHEMBL8188324 0.74 SIGMAR1 (1.00) SIGMAR1LMNAPOLBKMT2AMC4R
SCHEMBL576868 0.74 SIGMAR1 (1.00) SIGMAR1LMNAPOLBKMT2AMC4R

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
WO-2008147864-A2 METHODS OF USING PIPERAZINE COMPOUNDS IN TREATING SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS XENON PHARMACEUTICALS INC. (CA) 2008-12-04 WO claimed
WO-2008147864-A2 METHODS OF USING PIPERAZINE COMPOUNDS IN TREATING SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS XENON PHARMACEUTICALS INC. (CA) 2008-12-04 WO disclosed