SCHEMBL7984929

SCHEMBL7984929

COc1ccc(CC(NC(=O)OCc2ccccc2)C(=O)NNC(=O)c2cc3ccccc3[nH]2)cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.59
TACR1 P25103 1/20 0.57
PTGER4 P35408 2/20 0.56
PYGL P06737 3/20 0.54
HDAC8 Q9BY41 1/20 0.53
CTSL P07711 2/20 0.52
CTSS P25774 2/20 0.52
CTSB P07858 1/20 0.52
CTSK P43235 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
CCKAR P32238 1/20 0.50
CCKBR P32239 1/20 0.50
ALB P02768 1/20 0.49
IL2 P60568 1/20 0.49

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
SCHEMBL8121388 0.90 PYGL (0.55) PYGLCTSLCTSSNPC1RAB9A
SCHEMBL7971348 0.83 TACR1 (0.83) F2TACR1HDAC8CTSLCTSS
SCHEMBL29430273 0.79 PYGL (0.55) PTGER4PYGLCTSLCTSSCTSK
SCHEMBL7960063 0.79 PYGL (0.55) PTGER4PYGLCTSLCTSSCTSK
SCHEMBL10706786 0.78 HDAC8 (0.68) F2TACR1HDAC8CTSLCTSS
SCHEMBL7960095 0.78 PYGL (0.59) PTGER4PYGLCCKARCCKBRALB
SCHEMBL7970037 0.78 HDAC8 (0.65) F2TACR1HDAC8CTSLCTSS
SCHEMBL14684392 0.77 HDAC8 (0.64) F2TACR1HDAC8CTSLCTSS
SCHEMBL7317573 0.77 HDAC8 (0.64) F2TACR1HDAC8CTSLCTSS
SCHEMBL8569421 0.77 ALDH1A1 (0.65) F2TACR1HDAC8CTSLCTSS

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-6271247-B1 BINDING TO NEUROPEPTIDE RECEPTORS ADIR ET COMPAGNIE (FR) 2001-08-07 US disclosed