SCHEMBL17844244

SCHEMBL17844244

COc1ccccc1OCCCNc1c(-c2ccccc2)sn(C(C)(C)C)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
HTR1A P08908 3/20 0.39
ADRA1D P25100 2/20 0.39
ADRA1A P35348 2/20 0.39
ADRA1B P35368 2/20 0.39
NPSR1 Q6W5P4 1/20 0.37
TSHR P16473 2/20 0.37
HPGD P15428 1/20 0.37
LMNA P02545 1/20 0.37
HEXA P06865 1/20 0.36
HEXB P07686 1/20 0.36
ALDH1A1 P00352 3/20 0.36
HSD17B10 Q99714 1/20 0.36
GAA P10253 1/20 0.35
NPC1 O15118 1/20 0.35
HSP90AA1 P07900 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ATM Q13315 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL17844130 0.88 DRD2 (0.41) NPSR1TSHRHPGDLMNAALDH1A1
SCHEMBL17844148 0.88 KMT2A (0.40) HPGDALDH1A1GAANPC1KDM4E
SCHEMBL17844236 0.87 DRD2 (0.44) MTNR1AMTNR1BNPSR1LMNAHEXA
SCHEMBL17844246 0.84 HCRTR1 (0.39) ADRA1DADRA1AADRA1BLMNAALDH1A1
SCHEMBL5186747 0.84 PTPN2 (0.37) MTNR1AMTNR1BNPC1L3MBTL1
SCHEMBL17844247 0.83 HTR1B (0.39) MTNR1AMTNR1BHPGDLMNAALDH1A1
SCHEMBL17844178 0.82 DRD4 (0.43) TSHRALDH1A1KDM4EL3MBTL1
SCHEMBL17844176 0.82 ADORA3 (0.35) HTR1AADRA1DADRA1AADRA1BTSHR
SCHEMBL17844227 0.81 POLB (0.39) HPGDLMNAALDH1A1KDM4E
SCHEMBL17844180 0.81 KDM4E (0.37) LMNAALDH1A1GAANPC1KDM4E

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-2016100619-A2 TREATMENT AND DIAGNOSIS OF CANCER RGENIX, INC. (US) 2016-06-23 WO disclosed