SCHEMBL6235475

SCHEMBL6235475

COc1cccc(COc2ccc(CNC(C)c3ncc(C)s3)cc2OC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
ABCB1 P08183 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
CTSA P10619 2/20 0.44
CSF1R P07333 1/20 0.44
SMARCA2 P51531 1/20 0.43
LMNA P02545 1/20 0.42
CASR P41180 4/20 0.42
HTR1A P08908 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
SLC2A1 P11166 1/20 0.41
HTT P42858 2/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL6276107 1.00 MTNR1A (0.46) MTNR1AMTNR1BABCB1NPC1RAB9A
SCHEMBL6231706 0.90 LMNA (0.53) NPC1RAB9ASMARCA2LMNAHTR1A
SCHEMBL6231703 0.90 LMNA (0.53) NPC1RAB9ASMARCA2LMNAHTR1A
SCHEMBL6236884 0.85 SMN1; SMN2 (0.46) NPC1RAB9ACTSALMNAHTT
SCHEMBL6232051 0.81 MEN1 (0.51) LMNAHTR1AADRA1DADRA1AADRA1B
SCHEMBL6230153 0.81 MEN1 (0.51) LMNAHTR1AADRA1DADRA1AADRA1B
SCHEMBL6236909 0.80 NTRK1 (0.41) NPC1RAB9ACTSACSF1RLMNA
SCHEMBL6233814 0.80 FFAR4 (0.45) RAB9ACTSALMNASLC2A1ALDH1A1
SCHEMBL6235977 0.79 KMT2A (0.57) CTSALMNAHTTMAPTSMN1; SMN2
SCHEMBL6235480 0.79 BCHE (0.53) MTNR1AMTNR1BABCB1NPC1RAB9A

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-2005000309-A2 CHEMICAL COMPOUNDS IONIX PHARMACEUTICALS LIMITED (GB) 2005-01-06 WO disclosed