SCHEMBL9877075

SCHEMBL9877075

CC(=O)NCCCc1nc2cc(C3=NNC(=O)CC3C)ccc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 10/20 0.49
PDE3A Q14432 10/20 0.49
ABCB11 O95342 1/20 0.44
MAOA P21397 1/20 0.44
ADORA2A P29274 1/20 0.44
HTT P42858 1/20 0.44
GPR119 Q8TDV5 5/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GALR3 O60755 1/20 0.43
MAPT P10636 1/20 0.43
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
F10 P00742 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL10424705 0.89 PDE3B (0.44) PDE3BPDE3AABCB11MAOAADORA2A
SCHEMBL9878653 0.89 PDE3B (0.55) PDE3BPDE3AABCB11MAOAADORA2A
SCHEMBL9178917 0.85 PDE3B (0.51) PDE3BPDE3AABCB11MAOAADORA2A
Iodide SCHEMBL9878412 0.85 PDE3B (0.43) PDE3BPDE3AABCB11MAOAADORA2A
SCHEMBL10513962 0.85 KDM4E (0.55) PDE3BPDE3AABCB11MAOAADORA2A
SCHEMBL7294751 0.84 PDE3B (0.50) PDE3BPDE3AABCB11MAOAADORA2A
SCHEMBL9877943 0.84 PDE3B (0.49) PDE3BPDE3AABCB11MAOAADORA2A
SCHEMBL9877513 0.83 MAPT (0.45) PDE3BPDE3AABCB11MAOAADORA2A
SCHEMBL9877512 0.83 MAPT (0.45) PDE3BPDE3AABCB11MAOAADORA2A
SCHEMBL10512577 0.83 KDM4E (0.47) PDE3BPDE3AABCB11MAOAADORA2A

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