SCHEMBL17043078

SCHEMBL17043078

O=C(NCCCN1CCCC1)C(=Cc1ccc(C(=O)NOC2CCCCO2)cc1)COc1cccc2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 2/20 0.62
▸ TDP1 Q9NUW8 1/20 0.40
▸ HRH3 Q9Y5N1 8/20 0.39
▸ HTR2A P28223 2/20 0.39
▸ HTR7 P34969 2/20 0.39
▸ HTR6 P50406 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ ADAMTS4 O75173 1/20 0.38
▸ ADAMTS5 Q9UNA0 1/20 0.38
▸ MAPT P10636 1/20 0.37
▸ FAAH O00519 2/20 0.36
▸ DRD3 P35462 2/20 0.36
▸ DRD2 P14416 1/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ TGFBR1 P36897 1/20 0.35
▸ L3MBTL3 Q96JM7 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL17043074 1.00 P2RX3 (0.62) P2RX3TDP1HRH3HTR2AHTR7
SCHEMBL1306250 0.91 P2RX3 (0.60) P2RX3KDM4EHSD17B10ADAMTS4ADAMTS5
SCHEMBL1306254 0.91 P2RX3 (0.60) P2RX3KDM4EHSD17B10ADAMTS4ADAMTS5
SCHEMBL17043163 0.90 P2RX3 (0.58) P2RX3KDM4EHSD17B10ADAMTS4ADAMTS5
SCHEMBL3815479 0.90 P2RX3 (0.58) P2RX3KDM4EHSD17B10ADAMTS4ADAMTS5
SCHEMBL1306515 0.89 P2RX3 (0.63) P2RX3KDM4EADAMTS4ADAMTS5MAPT
SCHEMBL1306516 0.89 P2RX3 (0.63) P2RX3KDM4EADAMTS4ADAMTS5MAPT
SCHEMBL1306401 0.88 P2RX3 (0.58) P2RX3KDM4EL3MBTL1
SCHEMBL1306404 0.88 P2RX3 (0.58) P2RX3KDM4EL3MBTL1
SCHEMBL1307203 0.88 P2RX3 (0.66) P2RX3KDM4EADAMTS4ADAMTS5MAPT

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-2913322-A2 Naphthalenyloxypropenyl derivatives having inhibitory activity against histone deacetylase and pharmaceutical composition comprising the same Korea Research Institute Of Chemical Technology (KR) 2015-09-02 — — EP disclosed
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