SCHEMBL7325339

SCHEMBL7325339

C=C(c1ccccc1OCCC(=O)NC(C)(C)C)c1cccc2[nH]ccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.41
HDAC2 Q92769 3/20 0.41
HDAC3 O15379 3/20 0.41
HDAC4 P56524 2/20 0.41
HDAC7 Q8WUI4 2/20 0.41
HDAC10 Q969S8 2/20 0.41
HDAC11 Q96DB2 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC9 Q9UKV0 2/20 0.41
HDAC5 Q9UQL6 2/20 0.41
TUBB4A P04350 2/20 0.40
TUBB P07437 2/20 0.40
TUBA3C P0DPH7 2/20 0.40
TUBA1B P68363 2/20 0.40
TUBA4A P68366 2/20 0.40
TUBB4B P68371 2/20 0.40
TUBB3 Q13509 2/20 0.40
TUBB2A Q13885 2/20 0.40
TUBB8 Q3ZCM7 2/20 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
SCHEMBL7328319 0.82 HTR1B (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9450175 0.78 DRD2 (0.43) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL7333081 0.76 ADRB2 (0.54) HTR1BLMNATSHRDRD4DRD3
SCHEMBL9449999 0.74 HTR1B (0.48) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7327839 0.74 HTR1B (0.47) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL9646679 0.71 HTR1A (0.39) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL23701819 0.71 DHPS (0.63) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL10570499 0.70 HTR1A (0.45) HTR1BCTNNB1WNT3AMCL1DRD2
SCHEMBL9133428 0.69 DHPS (0.51) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL9132823 0.69 DHPS (0.50) HDAC1HDAC2HDAC3HDAC4HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0395528-B1 4-Phenylmethyl-1H-indole derivatives, process and intermediates for their preparation, their use as medicines and compositions containing them ROUSSEL UCLAF (FR) 1995-07-05 EP disclosed
US-5182282-A Antiarrhythmia agents ROUSSEL UCLAF (FR) 1993-01-26 US disclosed
US-5086070-A 4-BENZYL-1H-INDOLES AND ANTI-ARRTHYMIC USE THEREOF ROUSSEL UCLAF (FR) 1992-02-04 US disclosed
EP-0395528-A2 4-Phenylmethyl-1H-indole derivatives, process and intermediates for their preparation, their use as medicines and compositions containing them ROUSSEL-UCLAF (FR) 1990-10-31 EP disclosed