SCHEMBL7983867

SCHEMBL7983867

O=C(NCC1CCN(Cc2cccc3ccccc23)CC1)C1=Cc2cnc3cccc(n23)S1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
LMNA P02545 2/20 0.40
TP53 P04637 2/20 0.40
THRB P10828 1/20 0.40
ACHE P22303 1/20 0.40
DRD4 P21917 2/20 0.38
SIGMAR1 Q99720 2/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRK1 P41145 1/20 0.38
OPRL1 P41146 1/20 0.38
FAAH O00519 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37

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
Hydrochloric Acid SCHEMBL7983873 0.99 HDAC1 (0.41) HDAC1HDAC8HDAC6LMNATP53
SCHEMBL7983124 0.87 HDAC3 (0.51) HDAC1HDAC8HDAC6ACHEDRD4
Hydrochloric Acid SCHEMBL7983228 0.86 HDAC3 (0.50) HDAC1HDAC8HDAC6ACHEDRD4
SCHEMBL7989656 0.86 MCHR1 (0.44) HDAC1HDAC8HDAC6LMNATP53
Hydrochloric Acid SCHEMBL7981956 0.85 MCHR1 (0.43) HDAC1HDAC8HDAC6LMNATP53
SCHEMBL7971774 0.85 MCHR1 (0.41) HDAC1HDAC8HDAC6LMNATP53
SCHEMBL7986626 0.85 LMNA (0.38) HDAC1HDAC8HDAC6LMNATP53
Hydrochloric Acid SCHEMBL7982672 0.85 MCHR1 (0.41) HDAC1HDAC8HDAC6LMNATP53
Hydrochloric Acid SCHEMBL7982968 0.84 LMNA (0.38) HDAC1HDAC8HDAC6LMNATP53
SCHEMBL7971613 0.83 KMT2A (0.41) ACHEHTR2AHTR2COPRM1OPRK1

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
US-6235731-B1 REDUCING BLOOD LIPIDS, SUGARS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-22 US disclosed