SCHEMBL6615893

SCHEMBL6615893

COC(=O)c1ccc(C=C2CCCCN2C(=O)OC(C)(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.49
▸ HDAC6 Q9UBN7 1/20 0.49
▸ PIM1 P11309 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ NR1H2 P55055 1/20 0.40
▸ GLA P06280 1/20 0.39
▸ RAB9A P51151 6/20 0.38
▸ NPC1 O15118 5/20 0.38
▸ SMN1; SMN2 Q16637 5/20 0.38
▸ MAPT P10636 2/20 0.38
▸ UCHL1 P09936 1/20 0.38
▸ USP30 Q70CQ3 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37

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
SCHEMBL30115005 0.81 SMN1; SMN2 (0.41) HDAC1NR1H2RAB9ANPC1SMN1; SMN2
SCHEMBL1602307 0.77 OGA (0.46) HDAC1HDAC6PIM1ALDH1A1NR1H2
SCHEMBL20304926 0.76 KMT2A (0.46) HDAC1HDAC6PIM1ALDH1A1NR1H2
SCHEMBL20304927 0.76 KMT2A (0.46) HDAC1HDAC6PIM1ALDH1A1NR1H2
SCHEMBL20333548 0.76 KMT2A (0.46) HDAC1HDAC6PIM1ALDH1A1NR1H2
SCHEMBL30740727 0.76 HSD11B1 (0.39) ALDH1A1SMN1; SMN2MAPTUCHL1USP30
SCHEMBL20332701 0.75 NR1H2 (0.48) HDAC1HDAC6PIM1ALDH1A1NR1H2
SCHEMBL17542385 0.75 SMN1; SMN2 (0.43) HDAC1HDAC6NR1H2RAB9ANPC1
SCHEMBL31357623 0.75 HDAC1 (0.36) HDAC1HDAC6ALDH1A1NR1H2RAB9A
SCHEMBL21816667 0.74 NR1H2 (0.46) HDAC1HDAC6PIM1ALDH1A1NR1H2

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-1395574-A1 4-(PHENYL-PIPERIDIN-4-YLIDENE-METHYL)-BENZAMIDE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF PAIN, ANXIETY OR GASTROINTESTINAL DISORDERS AstraZeneca AB (SE) 2004-03-10 — — EP disclosed
WO-2002094810-A1 4-(PHENYL-PIPERIDIN-4-YLIDENE-METHYL)-BENZAMIDE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF PAIN, ANXIETY OR GASTROINTESTINAL DISORDERS ASTRAZENECA AB (SE) 2002-11-28 — — WO disclosed
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