SCHEMBL10464113

SCHEMBL10464113

CNCCc1cn(Cc2ccc(OC)cc2)c2ccc(CS(N)(=O)=O)cc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.52
MTNR1B P49286 2/20 0.52
HDAC3 O15379 2/20 0.51
HDAC6 Q9UBN7 2/20 0.51
HDAC4 P56524 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51
HTR6 P50406 3/20 0.49
PLA2G2A P14555 2/20 0.47
EGFR P00533 1/20 0.46
IGF1R P08069 1/20 0.46
FLT4 P35916 1/20 0.46
KDR P35968 1/20 0.46
LMNA P02545 1/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNA7 P36544 1/20 0.42
CHRNA4 P43681 1/20 0.42

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
SCHEMBL10465306 0.90 MTNR1A (0.52) MTNR1AMTNR1BHDAC3HDAC6HDAC4
SCHEMBL10465300 0.89 EGFR (0.57) MTNR1AMTNR1BHDAC3HDAC6HDAC4
SCHEMBL10465887 0.86 HTR6 (0.66) HTR6
SCHEMBL10465302 0.85 HTR6 (0.45) MTNR1AMTNR1BHTR6TP53
SCHEMBL10505218 0.83 MTNR1A (0.52) MTNR1AMTNR1BHDAC3HDAC6HDAC4
SCHEMBL10465880 0.82 PLA2G2A (0.47) MTNR1AMTNR1BHDAC3HDAC6HDAC4
SCHEMBL10465883 0.81 ADRB2 (0.44) MTNR1AMTNR1BHDAC3HDAC6HDAC4
SCHEMBL10465297 0.79 EGFR (0.53) HTR6EGFRIGF1RFLT4KDR
SCHEMBL9597232 0.79 NQO2 (0.43) MTNR1AMTNR1BHDAC3HDAC6HDAC4
SCHEMBL10464116 0.78 EGFR (0.58) HDAC3HDAC6HTR6EGFRIGF1R

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0147107-B1 INDOLE DERIVATES GLAXO GROUP LIMITED (GB) 1989-08-02 EP claimed
US-4894387-A RELIEF FROM PAIN FROM VASODILATION GLAXO GROUP LIMITED (GB) 1990-01-16 US disclosed
EP-0147107-B1 INDOLE DERIVATES GLAXO GROUP LIMITED (GB) 1989-08-02 EP disclosed
EP-0147107-A1 Indole derivates GLAXO GROUP LIMITED (GB) 1985-07-03 EP disclosed