SCHEMBL10759148

SCHEMBL10759148

CC1=C(c2ccc(-n3ccnc3C)cc2)CC(C)C(=O)N1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 7/20 0.49
▸ PDE3A Q14432 7/20 0.49
▸ PDE2A O00408 5/20 0.49
▸ PDE1A P54750 2/20 0.49
▸ PDE1B Q01064 2/20 0.49
▸ PDE1C Q14123 2/20 0.49
▸ MGAM O43451 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ SI P14410 1/20 0.46
▸ MGAM2 Q2M2H8 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.44
▸ ADH5 P11766 3/20 0.43
▸ CYP3A4 P08684 3/20 0.41
▸ CYP2D6 P10635 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP19A1 P11511 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ PDE4B Q07343 6/20 0.40
▸ PDE4A P27815 5/20 0.40

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
Hydrochloric Acid SCHEMBL10761022 0.99 PDE3B (0.48) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL10764278 0.87 PDE3B (0.46) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL7347151 0.80 PDE3B (0.56) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL10755622 0.79 PDE3B (0.62) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL10761383 0.78 PDE3B (0.73) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL10757838 0.78 PDE3B (0.52) PDE3BPDE3APDE2APDE1APDE1B
Hydrochloric Acid SCHEMBL10759777 0.78 PDE3B (0.60) PDE3BPDE3APDE2APDE1APDE1B
Hydrochloric Acid SCHEMBL10757069 0.77 PDE3B (0.72) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL11080028 0.76 PDE3B (0.44) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL10620570 0.74 PDE3B (0.63) PDE3BPDE3APDE2APDE1APDE1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4699914-A CONGESTIVE HEART FAILURE A. NATTERMANN & CIE GMBH (DE) 1987-10-13 — — US disclosed
EP-0175187-A1 3,4-Dihydro-2(1H)-pyridones and 2(1H)-pyridones containing imidazole groups, method for their preparation and medicaments containing them A. Nattermann & Cie. GmbH (DE) 1986-03-26 — — EP disclosed
Send feedback