SCHEMBL8515919

SCHEMBL8515919

CNCCC[C@H](NC(=O)[C@@H](N)Cc1ccc(NC(=O)OC)cc1)C(=O)Nc1ccc2ccccc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.40
HDAC8 Q9BY41 5/20 0.40
LCK P06239 1/20 0.40
OPRK1 P41145 1/20 0.40
TACR1 P25103 4/20 0.40
SIRT1 Q96EB6 1/20 0.40
HDAC3 O15379 2/20 0.40
HDAC4 P56524 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC7 Q8WUI4 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC10 Q969S8 2/20 0.40
HDAC11 Q96DB2 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC9 Q9UKV0 2/20 0.40
HDAC5 Q9UQL6 2/20 0.40
FCER2 P06734 1/20 0.39
KISS1R Q969F8 2/20 0.38
CTNNB1 P35222 1/20 0.38
BDKRB2 P30411 2/20 0.38

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
Pabetan SCHEMBL29894618 0.79 NPY4R (0.46) FCER2KISS1R
Pabetan SCHEMBL21571465 0.79 NPY4R (0.46) FCER2KISS1R
Pabetan SCHEMBL14928984 0.79 NPY4R (0.46) FCER2KISS1R
Pabetan SCHEMBL4546522 0.79 NPY4R (0.46) FCER2KISS1R
SCHEMBL26025959 0.78 OPRK1 (0.49) OPRK1SIRT1SSTR3
SCHEMBL26015644 0.76 SSTR3 (0.47) OPRK1SIRT1SSTR3
SCHEMBL8358632 0.76 OPRD1 (0.49) OPRD1OPRK1KISS1R
Pabetan SCHEMBL23784701 0.76 MC4R (0.56) OPRK1TACR1
Pabetan SCHEMBL1738816 0.76 MC4R (0.56) OPRK1TACR1
Pabetan SCHEMBL29359620 0.76 MC4R (0.56) OPRK1TACR1

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-1999037667-A1 EFFLUX PUMP INHIBITORS MICROCIDE PHARMACEUTICALS, INC. (US) 1999-07-29 WO disclosed