SCHEMBL9877849

SCHEMBL9877849

NCCCc1nc2cc(C3=NNC(=O)CC3)ccc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 9/20 0.43
PDE3A Q14432 9/20 0.43
PDE4A P27815 6/20 0.43
PDE4B Q07343 6/20 0.43
PDE4C Q08493 6/20 0.43
PDE4D Q08499 6/20 0.43
GPR119 Q8TDV5 5/20 0.42
LMNA P02545 1/20 0.41
NPY1R P25929 1/20 0.41
NPY2R P49146 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 1/20 0.39
KCNH2 Q12809 1/20 0.38

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
SCHEMBL7293305 0.93 PDE3B (0.44) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7293313 0.84 RAD52 (0.50) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9878387 0.81 ALDH1A1 (0.45) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7294751 0.78 PDE3B (0.50) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7421090 0.77 PDE3B (0.49) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9877943 0.75 PDE3B (0.49) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL8114164 0.75 SMN1; SMN2 (0.55) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7329219 0.75 PDE3B (0.47) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9184983 0.74 PDE3B (0.46) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9781503 0.73 KCNH2 (0.51) PDE3BPDE3APDE4APDE4BPDE4C

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