SCHEMBL9869767

SCHEMBL9869767

NC(=O)C1=CN(CCCC(=O)NCCc2ccccc2)C=CC1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.49
HDAC1 Q13547 3/20 0.49
HDAC2 Q92769 3/20 0.49
HDAC10 Q969S8 3/20 0.49
HDAC11 Q96DB2 3/20 0.49
HDAC8 Q9BY41 3/20 0.49
HDAC6 Q9UBN7 3/20 0.49
NCOR2 Q9Y618 3/20 0.49
HDAC4 P56524 2/20 0.49
HDAC9 Q9UKV0 2/20 0.49
TAAR1 Q96RJ0 1/20 0.46
F13A1 P00488 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
TRPV1 Q8NER1 1/20 0.44
EPHX2 P34913 2/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL9554890 0.93 ALDH1A1 (0.46) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL9011221 0.86 ALDH1A1 (0.46) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL2205423 0.74 ADRA1D (0.41)
Hydrochloric Acid SCHEMBL3803201 0.73 ADRA1D (0.40)
SCHEMBL9011183 0.73 RAB9A (0.50) HDAC2HDAC8HDAC6L3MBTL1LMNA
SCHEMBL13073336 0.73 HDAC3 (0.71) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL25840478 0.73 HDAC3 (0.77) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL10436247 0.73 HDAC3 (0.74) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL4074353 0.72 HDAC3 (0.87) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL13073412 0.71 HDAC3 (0.78) HDAC3HDAC1HDAC2HDAC10HDAC11

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
US-5008257-A Penicillin or cephalosporin antibiotics UNIVERSITY OF FLORIDA (US) 1991-04-16 US disclosed
US-4900837-A Brain-specific drug delivery of steroid sex hormones cleaved from pyridinium carboxylates and dihydro-pyridine carboxylate precursors UNIVERSITY OF FLORIDA (US) 1990-02-13 US disclosed
US-4880921-A Brain-specific drug delivery UNIVERSITY OF FLORIDA (US) 1989-11-14 US disclosed
US-4824850-A DIHYDROPYRIDINE-PYRIDINIUM SALT REDOX CARRIER UNIVERSITY OF FLORIDA (US) 1989-04-25 US disclosed