SCHEMBL2225563

SCHEMBL2225563

Cc1cc(CN2CCN(c3ncccc3C(C)C)CC2)sc1C

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
HTR1A P08908 1/20 0.37
HTR2C P28335 1/20 0.37
HTR3A P46098 1/20 0.37
HTR3D Q70Z44 1/20 0.37
HTR3C Q8WXA8 1/20 0.37
HSD11B1 P28845 1/20 0.37
ACKR3 P25106 1/20 0.36
PPARG P37231 1/20 0.36
EPHX2 P34913 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
SCHEMBL2228025 0.79 MAPT (0.56) KDM4EMEN1KMT2AALDH1A1PPARG
SCHEMBL27897390 0.79 EPHX2 (0.41) KDM4EMEN1KMT2AALDH1A1TDP1
SCHEMBL2222751 0.74 ALDH1A1 (0.46) KDM4EMEN1KMT2AALDH1A1HTR3E
SCHEMBL14485560 0.73 HTR3E (0.50) KDM4EMEN1KMT2AALDH1A1TDP1
SCHEMBL19107154 0.72 HRH4 (0.50) HTR3EHTR3BHTR1AHTR2CHTR3A
SCHEMBL26790144 0.71 CYP1A2 (0.45) KDM4EMEN1KMT2AALDH1A1HSD11B1
SCHEMBL10094245 0.71 CYP1A2 (0.49) KDM4EMEN1KMT2AALDH1A1TDP1
SCHEMBL14485700 0.70 HTR3E (0.45) KDM4EMEN1KMT2AALDH1A1HTR3E
SCHEMBL2224288 0.70 HTR3E (0.50) KDM4EMEN1KMT2AALDH1A1TDP1
SCHEMBL10094264 0.70 CYP1A2 (0.52) KDM4E

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
EP-2523665-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS Glaxo Group Limited (GB) 2012-11-21 EP disclosed
WO-2011088201-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2011-07-21 WO disclosed