SCHEMBL7938183

SCHEMBL7938183

CN(CC(=O)O)C(=O)C(=O)C1CNc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
KCNH2 Q12809 1/20 0.36
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
ACKR3 P25106 1/20 0.34
TACR1 P25103 2/20 0.33
EGFR P00533 1/20 0.33
PIN1 Q13526 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
F2 P00734 1/20 0.32
PAX8 Q06710 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL13896768 0.86 TACR1 (0.44) TACR1
SCHEMBL7982416 0.83 TACR1 (0.32) TACR1
SCHEMBL7969135 0.80 BCHE (0.38) KCNH2PRMT5WDR77ACKR3MTNR1A
SCHEMBL7938770 0.79 L3MBTL1 (0.38) ALDH1A1KCNH2MTNR1A
SCHEMBL7986076 0.77 HDAC1 (0.36) ALDH1A1KCNH2PRMT5WDR77EGFR
SCHEMBL13896765 0.77 MEN1 (0.41) ALDH1A1KCNH2PRMT5WDR77ACKR3
SCHEMBL13264880 0.77 ALDH1A1 (0.46) ALDH1A1KCNH2PRMT5WDR77ACKR3
SCHEMBL7946271 0.75 ATM (0.43) ALDH1A1KCNH2
SCHEMBL5800011 0.73 ALDH1A1 (0.57) ALDH1A1KCNH2PRMT5WDR77EGFR
SCHEMBL3749720 0.73 ALDH1A1 (0.57) ALDH1A1KCNH2PRMT5WDR77EGFR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010035032-A1 CALCIUM ION CHANNEL MODULATORS & USES THEREOF LECTUS THERAPEUTICS LIMITED (GB) 2010-04-01 WO disclosed