SCHEMBL9878030

SCHEMBL9878030

CC1CC(=O)NN=C1c1ccc(NC(=O)CCCN2C(=O)c3ccccc3C2=O)c(N)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.52
HDAC3 O15379 6/20 0.52
HDAC4 P56524 6/20 0.52
HDAC7 Q8WUI4 6/20 0.52
HDAC2 Q92769 6/20 0.52
HDAC10 Q969S8 6/20 0.52
HDAC11 Q96DB2 6/20 0.52
HDAC8 Q9BY41 6/20 0.52
HDAC6 Q9UBN7 6/20 0.52
HDAC9 Q9UKV0 6/20 0.52
HDAC5 Q9UQL6 6/20 0.52
PDE3B Q13370 4/20 0.48
PDE3A Q14432 4/20 0.48
NCOR2 Q9Y618 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
RXFP1 Q9HBX9 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PDE4A P27815 1/20 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
SCHEMBL9878179 0.88 GALR3 (0.58) PDE3BPDE3ASMN1; SMN2KDM4EALDH1A1
SCHEMBL7314154 0.84 PDE3B (0.55) PDE3BPDE3ASMN1; SMN2KDM4EALDH1A1
SCHEMBL7310488 0.83 PDE3B (0.54) PDE3BPDE3ASMN1; SMN2KDM4EALDH1A1
SCHEMBL7320798 0.83 PDE3B (0.54) PDE3BPDE3ASMN1; SMN2KDM4EALDH1A1
SCHEMBL7326436 0.80 PDE3B (0.51) PDE3BPDE3ASMN1; SMN2KDM4EALDH1A1
SCHEMBL10741604 0.77 PDE3B (0.77) PDE3BPDE3ASMN1; SMN2KDM4EALDH1A1
SCHEMBL16157001 0.77 PDE3B (0.77) PDE3BPDE3ASMN1; SMN2KDM4EALDH1A1
SCHEMBL7314234 0.77 SMN1; SMN2 (0.66) HDAC1PDE3BPDE3ASMN1; SMN2KDM4E
SCHEMBL7350479 0.74 PDE3B (0.57) PDE3BPDE3ASMN1; SMN2KDM4EALDH1A1
SCHEMBL7335953 0.74 HRH3 (0.69) PDE3BPDE3ASMN1; SMN2PDE4APDE4B

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
US-5039675-A Cardiovascular disorders HEUMANN PHARMA GMBH & CO. (DE) 1991-08-13 US disclosed
US-4957920-A INOTROPIC HEUMANN PHARMA GMBH & CO. (DE) 1990-09-18 US disclosed
EP-0310737-A1 Benzimidazoles, process for their preparation and medicines containing them HEUMANN PHARMA GMBH & CO (DE) 1989-04-12 EP disclosed