SCHEMBL13655497

SCHEMBL13655497

O=C(O)C(=O)c1coc2ccccc12

nearest known ligand 0.75

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 17/20 0.62
▸ ADORA2B P29275 2/20 0.53
▸ NPC1 O15118 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ TP53 P04637 1/20 0.48
▸ IDO1 P14902 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ MAOA P21397 3/20 0.45

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
SCHEMBL70456 0.86 MAOB (0.76) MAOBADORA2BNPC1MAPTRAB9A
SCHEMBL27822584 0.84 MAOB (0.73) MAOBADORA2BNPC1MAPTRAB9A
Hydrochloric Acid SCHEMBL87683 0.84 MAOB (0.73) MAOBADORA2BNPC1MAPTRAB9A
SCHEMBL8761733 0.83 MAOB (0.61) MAOBADORA2BNPC1MAPTRAB9A
SCHEMBL7383281 0.82 MAOB (0.56) MAOBADORA2BNPC1MAPTRAB9A
SCHEMBL6345667 0.81 KMT2A (0.61) MAOBADORA2BNPC1MAPTRAB9A
SCHEMBL2301535 0.80 MAOB (0.58) MAOBADORA2BNPC1MAPTRAB9A
SCHEMBL1299217 0.80 MAOB (0.58) MAOBADORA2BNPC1MAPTRAB9A
SCHEMBL87682 0.80 MAOB (0.58) MAOBADORA2BNPC1MAPTRAB9A
SCHEMBL11264479 0.79 MAOB (0.53) MAOBADORA2BNPC1MAPTRAB9A

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-1381366-B9 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC AMIDOPIPERAZINE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2009-10-21 — — EP disclosed
EP-1381366-B1 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC AMIDOPIPERAZINE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2009-04-22 — — EP disclosed
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