SCHEMBL7970040

SCHEMBL7970040

COc1ccc(CC(NC(=O)OCc2ccccc2)C(=O)NNC(=O)c2cccnc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.67
HDAC8 Q9BY41 1/20 0.54
F2 P00734 1/20 0.54
CYP3A4 P08684 3/20 0.54
CTSK P43235 5/20 0.53
USP30 Q70CQ3 1/20 0.52
CTSL P07711 3/20 0.51
CTSS P25774 2/20 0.51
CTSB P07858 2/20 0.50
KMT2A Q03164 1/20 0.50
MAPT P10636 1/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 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
SCHEMBL7976251 0.92 TACR1 (0.79) TACR1CTSKCTSLCTSSCTSB
SCHEMBL7971348 0.90 TACR1 (0.83) TACR1HDAC8F2CTSKCTSL
SCHEMBL8121348 0.88 USP30 (0.56) TACR1CYP3A4USP30KMT2AMAPT
SCHEMBL7976180 0.84 GAA (0.57) HDAC8CYP3A4USP30KMT2AMAPT
SCHEMBL7976449 0.83 USP30 (0.55) USP30CTSLCTSSKMT2A
SCHEMBL7971421 0.82 TACR1 (1.00) TACR1CTSKCTSLCTSSCTSB
SCHEMBL8116271 0.81 TACR1 (0.58) TACR1CYP3A4CTSLCTSSCTSB
SCHEMBL10706786 0.80 HDAC8 (0.68) TACR1HDAC8F2CTSKCTSL
SCHEMBL7970037 0.79 HDAC8 (0.65) TACR1HDAC8F2CTSKCTSL
SCHEMBL7317573 0.79 HDAC8 (0.64) TACR1HDAC8F2CTSKCTSL

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 2 patents. 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
US-6172108-B1 NEUROPEPTIDE Y RECEPTOR LIGANDS; TREATING PSYCHOLOGICAL, EATING, SLEEP, AND SEXUAL DISORDERS; HYPOTENSIVE, ANXIOLYTIC, ANTIDEPRESSANT, AND ANTIDIABETIC AGENTS ADIR ET COMPAGNIE (FR) 2001-01-09 US disclosed