SCHEMBL13746729

SCHEMBL13746729

O=C1N=C(N2CCN(CCO)CC2)S/C1=C\c1ccc(F)cc1OC(=O)N1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ACKR3 P25106 1/20 0.49
▸ CCR5 P51681 1/20 0.49
▸ NPC1 O15118 3/20 0.46
▸ RAB9A P51151 1/20 0.44
▸ GRIN1 Q05586 2/20 0.43
▸ GRIN2B Q13224 2/20 0.43
▸ MEN1 O00255 7/20 0.43
▸ KMT2A Q03164 7/20 0.43
▸ POLB P06746 1/20 0.43
▸ AMY1A P0DUB6 1/20 0.41
▸ ENPP2 Q13822 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL3428172 1.00 ACKR3 (0.49) ACKR3CCR5NPC1RAB9AGRIN1
SCHEMBL3428171 1.00 ACKR3 (0.49) ACKR3CCR5NPC1RAB9AGRIN1
SCHEMBL13747197 0.94 ACKR3 (0.50) ACKR3CCR5NPC1RAB9AGRIN1
SCHEMBL13747830 0.86 ACKR3 (0.56) ACKR3CCR5NPC1RAB9AGRIN1
SCHEMBL13616320 0.82 ACKR3 (0.57) ACKR3CCR5NPC1RAB9AGRIN1
SCHEMBL3431124 0.82 GRIN1 (0.60) ACKR3CCR5NPC1RAB9AGRIN1
SCHEMBL3431127 0.82 GRIN1 (0.60) ACKR3CCR5NPC1RAB9AGRIN1
SCHEMBL13616012 0.82 NPC1 (0.40) NPC1RAB9AGRIN1GRIN2BMEN1
SCHEMBL4343545 0.82 NPC1 (0.40) NPC1RAB9AGRIN1GRIN2BMEN1
SCHEMBL4343542 0.82 NPC1 (0.40) NPC1RAB9AGRIN1GRIN2BMEN1

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
WO-2009097695-A1 ARYLMETHYLIDENE HETEROCYCLES AS NOVEL ANALGESICS CHLORION PHARMA, INC. (CA) 2009-08-13 — — WO disclosed
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