SCHEMBL18667425

SCHEMBL18667425

Cc1ccc(C(=O)NCCCO)nc1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ EGLN1 Q9GZT9 1/20 0.51
▸ CNR1 P21554 2/20 0.49
▸ MAOB P27338 1/20 0.49
▸ RAB9A P51151 3/20 0.48
▸ POLB P06746 1/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.43

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
SCHEMBL31500499 0.88 L3MBTL1 (0.59) MEN1KMT2AEGLN1CNR1MAOB
SCHEMBL14395788 0.86 LMNA (0.57) MEN1KMT2AEGLN1CNR1MAOB
SCHEMBL23417254 0.84 EGLN1 (0.51) MEN1KMT2AEGLN1CNR1MAOB
SCHEMBL280282 0.83 EGLN1 (0.57) EGLN1MAOBRAB9A
SCHEMBL10228354 0.81 CNR1 (0.57) MEN1KMT2AEGLN1CNR1MAOB
SCHEMBL14124612 0.80 SMN1; SMN2 (0.53) MEN1KMT2AEGLN1CNR1MAOB
SCHEMBL107387 0.78 P2RX7 (0.53) MEN1KMT2AEGLN1MAOBRAB9A
SCHEMBL17298863 0.76 EGLN1 (0.50) EGLN1CNR1MAOBRAB9ASMN1; SMN2
SCHEMBL6207746 0.76 L3MBTL1 (0.70) MEN1KMT2ARAB9APOLBSMN1; SMN2
SCHEMBL19440768 0.76 HIF1A (0.67) MEN1KMT2ARAB9APOLBSMN1; SMN2

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-2017045750-A1 COMPOUNDS AS ASIC INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-03-23 — — WO disclosed
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