SCHEMBL9130336

SCHEMBL9130336

CC(C)(C)NCCCOc1ccccc1C(=O)Nc1cccc2[nH]ccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHPS P49366 4/20 0.50
RXFP1 Q9HBX9 7/20 0.47
HDAC3 O15379 2/20 0.47
HDAC1 Q13547 2/20 0.47
BRD4 O60885 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
HTR1B P28222 1/20 0.44
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 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
SCHEMBL9132566 0.97 DHPS (0.49) DHPSRXFP1HDAC3HDAC1BRD4
SCHEMBL9133428 0.97 DHPS (0.51) DHPSRXFP1HDAC3HDAC1BRD4
Hydrochloric Acid SCHEMBL9739316 0.96 DHPS (0.50) DHPSRXFP1HDAC3HDAC1BRD4
SCHEMBL9131204 0.91 DHPS (0.47) DHPSRXFP1HDAC3HDAC1BRD4
SCHEMBL9136237 0.91 DHPS (0.47) DHPSRXFP1HDAC3HDAC1BRD4
Hydrochloric Acid SCHEMBL9130882 0.91 DHPS (0.48) DHPSRXFP1HDAC3HDAC1BRD4
SCHEMBL9132823 0.89 DHPS (0.50) DHPSRXFP1HDAC3HDAC1BRD4
SCHEMBL9132463 0.88 HTR1A (0.44) HTR1BDRD4DRD3MEN1KMT2A
Hydrochloric Acid SCHEMBL9132778 0.88 DHPS (0.49) DHPSRXFP1HDAC3HDAC1BRD4
SCHEMBL9132886 0.86 HTR1A (0.48) DHPSRXFP1HDAC3HDAC1BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5084455-A Antiarrhythmia agents for mammals ROUSSEL UCLAF (FR) 1992-01-28 US claimed
EP-0213984-B1 INDOLE CARBOXAMIDE DERIVATIVES, THEIR SALTS, PROCESS AND INTERMEDIATES FOR THEIR PREPARATION, THEIR USE AS MEDICINES AND COMPOSITIONS CONTAINING THEM ROUSSEL-UCLAF (FR) 1991-01-09 EP claimed
US-4791109-A Novel indole carboxamides ROUSSEL UCLAF (FR) 1988-12-13 US claimed
US-5380722-A Antiarrhythmia agents ROUSSEL-UCLAF (FR) 1995-01-10 US disclosed
US-5084455-A Antiarrhythmia agents for mammals ROUSSEL UCLAF (FR) 1992-01-28 US disclosed
US-4908367-A Antiarrythmic agents Uclaf, Roussel (FR) 1990-03-13 US disclosed
US-4791109-A Novel indole carboxamides ROUSSEL UCLAF (FR) 1988-12-13 US disclosed