SCHEMBL8801161

SCHEMBL8801161

CCCCCCc1ccc(CN(C(=N)Nc2ccccc2)c2ccc(CCCCCC)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 2/20 0.47
TRPV1 Q8NER1 2/20 0.47
HDAC6 Q9UBN7 2/20 0.45
THRA P10827 3/20 0.44
THRB P10828 3/20 0.44
SPHK1 Q9NYA1 2/20 0.43
UBE2M P61081 1/20 0.43
DCUN1D1 Q96GG9 1/20 0.43
CNR2 P34972 1/20 0.43
S1PR1 P21453 1/20 0.43
KCNH2 Q12809 1/20 0.42
HDAC3 O15379 1/20 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
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41

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
SCHEMBL4977827 0.90 TRPV1 (0.42) STAT3TRPV1HDAC6THRATHRB
Hydrochloric Acid SCHEMBL4985159 0.89 TRPV1 (0.41) STAT3TRPV1HDAC6THRATHRB
SCHEMBL855620 0.84 HDAC6 (0.55) STAT3TRPV1HDAC6THRATHRB
SCHEMBL4984238 0.78 SMN1; SMN2 (0.51)
SCHEMBL4982717 0.78 LMNA (0.48) TRPV1
SCHEMBL8802180 0.77 ESR1 (0.49) STAT3TRPV1SPHK1S1PR1
Hydrochloric Acid SCHEMBL4981827 0.77 SMN1; SMN2 (0.50)
Hydrochloric Acid SCHEMBL4984280 0.76 LMNA (0.47) TRPV1
SCHEMBL4984273 0.76 SPHK1 (0.42) STAT3SPHK1S1PR1
SCHEMBL4984265 0.73 S1PR2 (0.45) STAT3SPHK1CNR2S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0751767-A4 THERAPEUTIC GUANIDINES CAMBRIDGE NEUROSCIENCE INC (US) 1997-12-10 EP claimed
EP-0751767-A1 THERAPEUTIC GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1997-01-08 EP claimed
WO-1995020950-A1 THERAPEUTIC GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1995-08-10 WO claimed