SCHEMBL30782827

SCHEMBL30782827

CN(CC1CCCc2c(-c3ccc(C(=O)O)cc3)cccc21)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
METAP2 P50579 1/20 0.35
OXTR P30559 3/20 0.35
HTR6 P50406 2/20 0.35
AVPR1A P37288 2/20 0.35
USP30 Q70CQ3 1/20 0.35
UCHL1 P09936 1/20 0.35
TAS2R14 Q9NYV8 1/20 0.34
PTGIR P43119 1/20 0.34
KDM4C Q9H3R0 1/20 0.33
HTR2C P28335 1/20 0.33
SLC6A4 P31645 1/20 0.33
GPR119 Q8TDV5 1/20 0.33

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
SCHEMBL30782918 0.91 HTR6 (0.37) BRD4CREBBPOXTRHTR6AVPR1A
SCHEMBL30782874 0.87 CYP11B2 (0.41) USP30UCHL1GPR119
SCHEMBL30782865 0.79 UCHL1 (0.38) HTR6UCHL1HTR2CSLC6A4
SCHEMBL31664591 0.74 BRD4 (0.36) BRD4CREBBPHTR2CSLC6A4
SCHEMBL31664593 0.74 BRD4 (0.36) BRD4CREBBPHTR2CSLC6A4
SCHEMBL30782897 0.73 HTR6 (0.38) HTR6KDM4C
SCHEMBL20700569 0.72 MGLL (0.35) BRD4CREBBPOXTRUCHL1HTR2C
SCHEMBL22814012 0.72 ADRA2A (0.39) SLC6A4GPR119
SCHEMBL31664596 0.72 BRD4 (0.35) BRD4CREBBPUSP30UCHL1GPR119
SCHEMBL31664598 0.71 HTR1A (0.38) BRD4CREBBPOXTRAVPR1AUCHL1

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
EP-4593954-A1 COMPOUNDS FOR THE TREATMENT OF A CENTRAL NERVOUS SYSTEM DISEASE OR DISORDER PGI Drug Discovery LLC (US) 2025-08-06 EP disclosed
WO-2024073383-A1 COMPOUNDS FOR THE TREATMENT OF A CENTRAL NERVOUS SYSTEM DISEASE OR DISORDER PGI DRUG DISCOVERY LLC (US) 2024-04-04 WO disclosed