SCHEMBL10465883

SCHEMBL10465883

CCNCCc1cn(CCc2ccc(OC)cc2)c2ccc(CS(N)(=O)=O)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.44
HTR6 P50406 3/20 0.42
MTNR1A P48039 2/20 0.41
MTNR1B P49286 2/20 0.41
EGFR P00533 3/20 0.41
IGF1R P08069 3/20 0.41
FLT4 P35916 3/20 0.41
KDR P35968 3/20 0.41
HDAC3 O15379 3/20 0.41
HDAC6 Q9UBN7 3/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA12 O43570 2/20 0.40
CA9 Q16790 2/20 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
SCHEMBL10465297 0.87 EGFR (0.53) ADRB2HTR6EGFRIGF1RFLT4
SCHEMBL10464895 0.84 HTR6 (0.59) HTR6
SCHEMBL10464728 0.82 EGFR (0.41) ADRB2HTR6EGFRIGF1RFLT4
SCHEMBL10494828 0.81 ADRB2 (0.44) ADRB2HTR6MTNR1AMTNR1BHDAC3
SCHEMBL10464113 0.81 MTNR1A (0.52) ADRB2HTR6MTNR1AMTNR1BEGFR
SCHEMBL10464116 0.81 EGFR (0.58) ADRB2HTR6EGFRIGF1RFLT4
SCHEMBL10465300 0.78 EGFR (0.57) ADRB2HTR6MTNR1AMTNR1BEGFR
SCHEMBL10465576 0.77 EGFR (0.45) ADRB2HTR6EGFRIGF1RFLT4
SCHEMBL10465887 0.75 HTR6 (0.66) HTR6
SCHEMBL10465306 0.74 MTNR1A (0.52) HTR6MTNR1AMTNR1BHDAC3HDAC6

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
US-4894387-A RELIEF FROM PAIN FROM VASODILATION GLAXO GROUP LIMITED (GB) 1990-01-16 US disclosed
EP-0147107-A1 Indole derivates GLAXO GROUP LIMITED (GB) 1985-07-03 EP disclosed