SCHEMBL7946271

SCHEMBL7946271

CN(C(=O)C(=O)C1CNc2ccccc21)C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.43
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
ABCC1 P33527 2/20 0.39
KCNH2 Q12809 1/20 0.38
NPC1 O15118 2/20 0.38
ALDH1A1 P00352 2/20 0.37
RAB9A P51151 1/20 0.37
POLB P06746 2/20 0.36
KMT2A Q03164 3/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL7969135 0.81 BCHE (0.38) KCNH2NPC1RAB9A
SCHEMBL7951889 0.81 KMT2A (0.41) HPGDTSHRNPC1ALDH1A1RAB9A
SCHEMBL7938770 0.81 L3MBTL1 (0.38) KCNH2ALDH1A1
SCHEMBL7944575 0.78 ALDH1A1 (0.40) KCNH2NPC1ALDH1A1
SCHEMBL7938183 0.75 ALDH1A1 (0.37) KCNH2ALDH1A1
SCHEMBL7938073 0.75 HRH3 (0.37) TSHRCYP1A2CYP3A4ALDH1A1HTT
SCHEMBL13896768 0.74 TACR1 (0.44) HPGDNPC1RAB9AKMT2A
SCHEMBL7986076 0.74 HDAC1 (0.36) KCNH2ALDH1A1KMT2A
SCHEMBL3749125 0.73 HTR6 (0.53) POLBKMT2A
SCHEMBL13264880 0.73 ALDH1A1 (0.46) KCNH2ALDH1A1

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-2010035032-A1 CALCIUM ION CHANNEL MODULATORS & USES THEREOF LECTUS THERAPEUTICS LIMITED (GB) 2010-04-01 WO disclosed
WO-2009133387-A1 INDOLE- 3 -GLYOXYLAMIDE DERIVATIVES FOR USE AS CALCIUM ION CHANNEL MODULATORS LECTUS THERAPEUTICS LIMITED (GB) 2009-11-05 WO disclosed