SCHEMBL8179797

SCHEMBL8179797

COc1ccc(NC(=O)CCCCCI)cc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.82
▸ HDAC1 Q13547 4/20 0.76
▸ HDAC8 Q9BY41 4/20 0.76
▸ HDAC3 O15379 3/20 0.76
▸ HDAC4 P56524 3/20 0.76
▸ HDAC7 Q8WUI4 3/20 0.76
▸ HDAC2 Q92769 3/20 0.76
▸ HDAC10 Q969S8 3/20 0.76
▸ HDAC11 Q96DB2 3/20 0.76
▸ HDAC6 Q9UBN7 3/20 0.76
▸ HDAC9 Q9UKV0 3/20 0.76
▸ HDAC5 Q9UQL6 3/20 0.76
▸ CNR1 P21554 2/20 0.65
▸ ALDH1A1 P00352 5/20 0.63
▸ HTT P42858 1/20 0.63
▸ KMT2A Q03164 4/20 0.60
▸ LMNA P02545 2/20 0.59
▸ MAPT P10636 3/20 0.57
▸ CYP1A2 P05177 2/20 0.57
▸ CYP3A4 P08684 2/20 0.57

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
SCHEMBL8172080 0.98 L3MBTL1 (0.84) L3MBTL1HDAC1HDAC8HDAC3HDAC4
SCHEMBL27291378 0.92 L3MBTL1 (0.96) L3MBTL1HDAC1HDAC8HDAC3HDAC4
SCHEMBL16438801 0.87 L3MBTL1 (0.75) L3MBTL1HDAC1HDAC8HDAC3HDAC4
SCHEMBL23055044 0.86 HDAC1 (1.00) L3MBTL1HDAC1HDAC8HDAC3HDAC4
SCHEMBL12215287 0.86 L3MBTL1 (0.84) L3MBTL1HDAC1HDAC8HDAC3HDAC4
SCHEMBL30444656 0.86 L3MBTL1 (0.84) L3MBTL1HDAC1HDAC8HDAC3HDAC4
SCHEMBL30021084 0.86 L3MBTL1 (0.84) L3MBTL1HDAC1HDAC8HDAC3HDAC4
SCHEMBL10647695 0.86 L3MBTL1 (0.84) L3MBTL1HDAC1HDAC8HDAC3HDAC4
SCHEMBL9077076 0.86 L3MBTL1 (0.84) L3MBTL1HDAC1HDAC8HDAC3HDAC4
SCHEMBL27909129 0.86 L3MBTL1 (0.84) L3MBTL1HDAC1HDAC8HDAC3HDAC4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0478954-B1 Serotonin 5HT1A and 5HT1D agonists MERRELL PHARMA INC (US) 2000-10-18 — — EP disclosed
US-5559143-A Serotonin 5HT1A agonistic method MERRELL PHARMACEUTICALS INC. (US) 1996-09-24 — — US disclosed
US-5387604-A 1,4 benzodioxin derivatives and their use as serotonin 5HT1A agonists MERRELL DOW PHARMACEUTICALS INC. (US) 1995-02-07 — — US disclosed
US-5189179-A SEROTONIN 5HT1A AGONISTS MERRELL DOW PHARMACEUTICALS INC. (US) 1993-02-23 — — US disclosed
EP-0478954-A1 Serotonin 5HT1A and 5HT1D antagonists MERRELL PHARMACEUTICALS INC. (US) 1992-04-08 — — EP disclosed
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