SCHEMBL3815391

SCHEMBL3815391

CCCCOC(=O)N(CCC1CCCN1C)C/C(=C\c1ccc(C(=O)O)cc1)COc1cccc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ACKR3 P25106 16/20 0.44
▸ P2RX3 P56373 2/20 0.41
▸ F10 P00742 1/20 0.39
▸ F7 P08709 1/20 0.39

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
SCHEMBL1306992 0.88 ACKR3 (0.46) ACKR3P2RX3F10F7
SCHEMBL1306993 0.88 ACKR3 (0.46) ACKR3P2RX3F10F7
SCHEMBL1306990 0.88 ACKR3 (0.46) ACKR3P2RX3F10F7
SCHEMBL3833312 0.81 P2RX3 (0.44) P2RX3
SCHEMBL1305726 0.79 P2RX3 (0.52) ACKR3P2RX3
SCHEMBL1305724 0.79 P2RX3 (0.52) ACKR3P2RX3
SCHEMBL3831385 0.78 TSHR (0.38) P2RX3
SCHEMBL3816350 0.77 SLC6A4 (0.40) P2RX3
SCHEMBL1305459 0.76 P2RX3 (0.60) ACKR3P2RX3F10F7
SCHEMBL3834922 0.75 P2RX3 (0.39) P2RX3

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-2089354-A1 NAPHTHALENYLOXYPROPENYL DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST HISTONE DEACETYLASE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Korea Research Institute Of Chemical Technology (KR) 2009-08-19 — — EP disclosed
WO-2008054154-A1 NAPHTHALENYLOXYPROPENYL DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST HISTONE DEACETYLASE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-05-08 — — WO disclosed
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