SCHEMBL23891707

SCHEMBL23891707

CNC(=O)Nc1ccc2c(c1)C1(CC1)CC21OC(=O)N(CC(C)=O)C1=O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 20/20 0.49
CREBBP Q92793 11/20 0.49
GABRA1 P14867 2/20 0.48
TMEM97 Q5BJF2 2/20 0.48
DRD3 P35462 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C8 P10632 1/20 0.48
CYP2C9 P11712 1/20 0.48
SLC6A4 P31645 1/20 0.48
HTR2B P41595 1/20 0.48
SLC6A3 Q01959 1/20 0.48
PLK3 Q9H4B4 1/20 0.48

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
SCHEMBL22039716 0.92 EP300 (0.50) EP300CREBBPGABRA1TMEM97DRD3
SCHEMBL22039746 0.92 EP300 (0.50) EP300CREBBPGABRA1TMEM97DRD3
SCHEMBL23891727 0.87 EP300 (0.45) EP300CREBBPGABRA1TMEM97DRD3
SCHEMBL24350741 0.87 EP300 (0.46) EP300CREBBPGABRA1TMEM97DRD3
SCHEMBL22040146 0.87 EP300 (0.47) EP300CREBBPGABRA1TMEM97DRD3
SCHEMBL23891742 0.83 TSHR (0.34) EP300CREBBPGABRA1TMEM97CYP3A4
SCHEMBL22039751 0.83 EP300 (0.68) EP300CREBBPGABRA1TMEM97CYP3A4
SCHEMBL23891796 0.83 EP300 (0.68) EP300CREBBPGABRA1TMEM97CYP3A4
SCHEMBL23891533 0.83 EP300 (0.68) EP300CREBBPGABRA1TMEM97CYP3A4
SCHEMBL23891729 0.81 EP300 (0.33) EP300CREBBPGABRA1TMEM97DRD3

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
EP-3889138-A1 HISTONE ACETYLASE P300 INHIBITOR AND USE THEREOF Hinova Pharmaceuticals Inc. (CN) 2021-10-06 EP disclosed