SCHEMBL9877370

SCHEMBL9877370

CC1CC(=O)NN=C1c1ccc2[nH]c(CCCN3C(=O)c4ccccc4C3=O)nc2c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.45
PDE3B Q13370 8/20 0.44
PDE3A Q14432 8/20 0.44
BRD4 O60885 2/20 0.44
ABCB11 O95342 1/20 0.43
MAOA P21397 1/20 0.43
ADORA2A P29274 1/20 0.43
ALDH1A1 P00352 1/20 0.42
PDE4A P27815 2/20 0.41
PDE4B Q07343 2/20 0.41
PDE4C Q08493 2/20 0.41
PDE4D Q08499 2/20 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
SCHEMBL9877420 0.97 GPR119 (0.45) GPR119PDE3BPDE3ABRD4ABCB11
SCHEMBL7303055 0.95 GPR119 (0.47) GPR119PDE3BPDE3ABRD4ABCB11
SCHEMBL7303063 0.87 PDE3B (0.53) GPR119PDE3BPDE3ABRD4ABCB11
SCHEMBL9178917 0.84 PDE3B (0.51) GPR119PDE3BPDE3AABCB11MAOA
SCHEMBL7294751 0.83 PDE3B (0.50) GPR119PDE3BPDE3AABCB11MAOA
SCHEMBL9877943 0.82 PDE3B (0.49) GPR119PDE3BPDE3AABCB11MAOA
SCHEMBL9878387 0.81 ALDH1A1 (0.45) GPR119PDE3BPDE3AALDH1A1PDE4A
SCHEMBL7295007 0.81 PDE3B (0.51) GPR119PDE3BPDE3AABCB11MAOA
SCHEMBL10424706 0.78 PDE3B (0.46) GPR119PDE3BPDE3AABCB11MAOA
SCHEMBL9877075 0.78 PDE3B (0.49) GPR119PDE3BPDE3AABCB11MAOA

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