SCHEMBL10726019

SCHEMBL10726019

CC(=O)Nc1ccc(C=CC2=NNC(=O)CC2C)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 10/20 1.00
▸ PDE3A Q14432 10/20 1.00
▸ CREBBP Q92793 2/20 0.51
▸ MEN1 O00255 4/20 0.43
▸ NPC1 O15118 4/20 0.43
▸ RAB9A P51151 4/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ MAPT P10636 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ BRD4 O60885 1/20 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
SCHEMBL10726010 1.00 PDE3B (1.00) PDE3BPDE3ACREBBPMEN1NPC1
SCHEMBL10760728 0.85 PDE3B (0.73) PDE3BPDE3ARAB9ASMN1; SMN2MAPK1
SCHEMBL10759796 0.82 PDE3B (0.69) PDE3BPDE3ANPC1RAB9AMAPT
SCHEMBL10761737 0.80 PDE3B (0.67) PDE3BPDE3ANPC1RAB9AMAPT
SCHEMBL10764653 0.80 PDE3B (0.67) PDE3BPDE3ACREBBPRAB9ASMN1; SMN2
SCHEMBL10761194 0.79 PDE3B (0.65) PDE3BPDE3ANPC1RAB9AMAPT
SCHEMBL10765163 0.79 PDE3B (0.65) PDE3BPDE3ANPC1RAB9AMAPT
SCHEMBL7285568 0.79 PDE3B (0.65) PDE3BPDE3ANPC1RAB9AMAPT
SCHEMBL10761216 0.79 PDE3B (0.65) PDE3BPDE3ANPC1RAB9AMAPT
SCHEMBL7284830 0.78 PDE3B (0.66) PDE3BPDE3AMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4656170-A CARDIOTONIC, HYPOTENSIVE, ANTITHROMBOTIC WARNER-LAMBERT COMPANY (US) 1987-04-07 — — US claimed
US-4656170-A CARDIOTONIC, HYPOTENSIVE, ANTITHROMBOTIC WARNER-LAMBERT COMPANY (US) 1987-04-07 — — US disclosed
US-4656170-A CARDIOTONIC, HYPOTENSIVE, ANTITHROMBOTIC WARNER-LAMBERT COMPANY (US) 1987-04-07 — — US disclosed
US-4656170-A CARDIOTONIC, HYPOTENSIVE, ANTITHROMBOTIC WARNER-LAMBERT COMPANY (US) 1987-04-07 — — US disclosed
EP-0210530-A1 6-Arylalkenyl pyridazinones MERCK PATENT GmbH (DE) 1987-02-04 — — EP disclosed
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