SCHEMBL6138928

SCHEMBL6138928

O=C(CCCCC(O)c1ccc(-c2ccc(CN3CCCCC3)cc2)cc1)NO

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.49
HRH4 Q9H3N8 1/20 0.49
MCHR1 Q99705 4/20 0.47
CHRM1 P11229 3/20 0.47
HTR2A P28223 3/20 0.47
HDAC1 Q13547 4/20 0.47
HDAC8 Q9BY41 4/20 0.47
HDAC6 Q9UBN7 3/20 0.47
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
HDAC2 Q92769 3/20 0.44
HDAC3 O15379 2/20 0.44
HDAC4 P56524 2/20 0.44
HDAC7 Q8WUI4 2/20 0.44
HDAC10 Q969S8 2/20 0.44
HDAC11 Q96DB2 2/20 0.44
HDAC9 Q9UKV0 2/20 0.44
HDAC5 Q9UQL6 2/20 0.44

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
SCHEMBL6138863 1.00 HRH3 (0.49) HRH3HRH4MCHR1CHRM1HTR2A
Hydrochloric Acid SCHEMBL6139049 0.99 HRH3 (0.48) HRH3HRH4MCHR1CHRM1HTR2A
Hydrochloric Acid SCHEMBL6139057 0.99 HRH3 (0.48) HRH3HRH4MCHR1CHRM1HTR2A
SCHEMBL6138545 0.89 HRH3 (0.51) HRH3HDAC1HDAC8HDAC6HDAC2
SCHEMBL6138501 0.89 HRH3 (0.51) HRH3HDAC1HDAC8HDAC6HDAC2
Hydrochloric Acid SCHEMBL6138839 0.88 HRH3 (0.50) HRH3HDAC1HDAC8HDAC6HDAC2
Hydrochloric Acid SCHEMBL6138827 0.88 HRH3 (0.50) HRH3HDAC1HDAC8HDAC6HDAC2
SCHEMBL6138909 0.80 HDAC1 (0.54) HDAC1HDAC8HDAC6HDAC2HDAC3
SCHEMBL6138916 0.80 HDAC1 (0.54) HDAC1HDAC8HDAC6HDAC2HDAC3
Hydrochloric Acid SCHEMBL6813385 0.80 HRH3 (0.47) HRH3HRH4MCHR1CHRM1HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1215203-B1 HYDROXAMIC ACID DERIVATIVES, PROCESS FOR THE PRODUCTION THEREOF AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2005-02-16 EP claimed
US-6770644-B1 Hydroxamic acid derivatives, process for the production thereof and drug containing the same as the active ingredient ONO PHARMACEUTICALS CO., LTD. (JP) 2004-08-03 US claimed
EP-1215203-A1 HYDROXAMIC ACID DERIVATIVES, PROCESS FOR THE PRODUCTION THEREOF AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2002-06-19 EP claimed