SCHEMBL9011271

SCHEMBL9011271

CCC(NC(=O)c1cnc2ccccc2c1)C(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 4/20 0.49
CCR1 P32246 2/20 0.48
HDAC3 O15379 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
BCAT1 P54687 1/20 0.47
CFTR P13569 1/20 0.47
MGAM O43451 1/20 0.47
ACE P12821 1/20 0.47
HPGDS O60760 1/20 0.46
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
GPR132 Q9UNW8 1/20 0.45

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
SCHEMBL9011326 0.77 CCR1 (0.51) CCKBRCCR1HPGDS
SCHEMBL9011205 0.77 LMNA (0.59) ACEGPR132
SCHEMBL6741897 0.77 MGAM (0.60) BCAT1CFTRMGAM
SCHEMBL12043740 0.77 HPGDS (0.67) CCR1BCAT1MGAMHPGDS
Iodide SCHEMBL9011384 0.77 ACE (0.45) ACEGPR132
SCHEMBL703262 0.74 MGAM (0.52) CCR1HDAC3HDAC1HDAC2BCAT1
SCHEMBL9011265 0.74 HDAC3 (0.53) HDAC3HDAC1HDAC2BCAT1CFTR
SCHEMBL7330575 0.74 MGAM (0.52) CCKBRCCR1BCAT1CFTRMGAM
SCHEMBL22413931 0.74 CCR1 (0.54) CCR1HDAC3HDAC1HDAC2BCAT1
SCHEMBL8882344 0.73 GAA (0.56) ACETAS1R3TAS1R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5525727-A ANALGESIC OR NARCOTIC ANTAGONIST UNIVERSITY OF FLORIDA (US) 1996-06-11 US disclosed
US-5187158-A Sustained delivery of viricides UNIVERSITY OF FLORIDA (US) 1993-02-16 US disclosed
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