SCHEMBL7976180

SCHEMBL7976180

COc1ccc(CC(NC(=O)COc2ccccc2)C(=O)NNC(=O)c2cccnc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C19 P33261 1/20 0.57
USP2 O75604 1/20 0.56
HDAC8 Q9BY41 4/20 0.56
HDAC3 O15379 3/20 0.56
HDAC4 P56524 3/20 0.56
HDAC1 Q13547 3/20 0.56
HDAC7 Q8WUI4 3/20 0.56
HDAC2 Q92769 3/20 0.56
HDAC10 Q969S8 3/20 0.56
HDAC11 Q96DB2 3/20 0.56
HDAC6 Q9UBN7 3/20 0.56
HDAC9 Q9UKV0 3/20 0.56
HDAC5 Q9UQL6 3/20 0.56
KDM4E B2RXH2 1/20 0.54
MAPT P10636 1/20 0.54
USP30 Q70CQ3 1/20 0.51
KMT2A Q03164 3/20 0.51
ALDH1A1 P00352 2/20 0.51

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
SCHEMBL7972845 0.93 CYP3A4 (0.57) GAACYP3A4CYP2C19KDM4EMAPT
SCHEMBL7969746 0.91 HDAC8 (0.66) GAAHDAC8HDAC3HDAC4HDAC1
SCHEMBL8121348 0.88 USP30 (0.56) GAACYP3A4CYP2C19USP2KDM4E
SCHEMBL7970040 0.84 TACR1 (0.67) CYP3A4HDAC8MAPTUSP30KMT2A
SCHEMBL7976449 0.84 USP30 (0.55) GAAKDM4EUSP30KMT2AALDH1A1
SCHEMBL7973309 0.82 TACR1 (0.65) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL7975877 0.80 HDAC8 (0.63) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL8116271 0.78 TACR1 (0.58) GAACYP3A4CYP2C19KMT2AALDH1A1
SCHEMBL8118400 0.78 TACR1 (0.61) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL7960080 0.76 HDAC8 (0.56) HDAC8HDAC3HDAC4HDAC1HDAC7

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 3 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
EP-1010691-A2 Hydrazide derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 2000-06-21 EP disclosed