SCHEMBL8907463

SCHEMBL8907463

c1ccc2c(NCc3ccc(CNc4ccnc5ccccc45)cc3)ccnc2c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.72
HTR1A P08908 2/20 0.71
ADRA1D P25100 2/20 0.71
ADRA1A P35348 2/20 0.71
ADRA1B P35368 2/20 0.71
FERMT2 Q96AC1 1/20 0.63
PKM P14618 1/20 0.61
HDAC3 O15379 1/20 0.58
HDAC4 P56524 1/20 0.58
HDAC1 Q13547 1/20 0.58
HDAC7 Q8WUI4 1/20 0.58
HDAC2 Q92769 1/20 0.58
HDAC10 Q969S8 1/20 0.58
HDAC11 Q96DB2 1/20 0.58
HDAC8 Q9BY41 1/20 0.58
HDAC9 Q9UKV0 1/20 0.58
HDAC5 Q9UQL6 1/20 0.58
NCOR2 Q9Y618 1/20 0.58
HRH3 Q9Y5N1 3/20 0.52
GALR3 O60755 1/20 0.50

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
SCHEMBL8907221 0.95 HDAC6 (0.67) HDAC6HTR1AADRA1DADRA1AADRA1B
SCHEMBL8907236 0.95 HDAC6 (0.67) HDAC6HTR1AADRA1DADRA1AADRA1B
SCHEMBL3051350 0.95 HTR1A (0.69) HDAC6HTR1AADRA1DADRA1AADRA1B
SCHEMBL31197362 0.95 HTR1A (0.69) HDAC6HTR1AADRA1DADRA1AADRA1B
Water SCHEMBL8907278 0.94 HDAC6 (0.65) HDAC6HTR1AADRA1DADRA1AADRA1B
SCHEMBL15761574 0.92 HDAC6 (0.64) HDAC6HTR1AADRA1DADRA1AADRA1B
SCHEMBL13496054 0.92 HDAC6 (0.64) HDAC6HTR1AADRA1DADRA1AADRA1B
SCHEMBL15673549 0.92 HDAC6 (0.64) HDAC6HTR1AADRA1DADRA1AADRA1B
SCHEMBL30307429 0.92 PKM (0.70) HDAC6HTR1AADRA1DADRA1AADRA1B
SCHEMBL15923532 0.92 HTR1A (0.65) HDAC6HTR1AADRA1DADRA1AADRA1B

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-1997048705-A1 POTASSIUM CHANNEL BLOCKERS UNIVERSITY COLLEGE LONDON (GB) 1997-12-24 WO disclosed