SCHEMBL10548815

SCHEMBL10548815

O=Cc1ccc(-n2cnc3c2CCCC3)nc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KCNJ1 P48048 1/20 0.44
▸ PDE3B Q13370 5/20 0.40
▸ PDE3A Q14432 5/20 0.40
▸ CYP11B2 P19099 1/20 0.40
▸ PDE2A O00408 2/20 0.39
▸ PDE1A P54750 1/20 0.36
▸ PDE1B Q01064 1/20 0.36
▸ PDE1C Q14123 1/20 0.36
▸ P2RX7 Q99572 4/20 0.34
▸ TRIM24 O15164 1/20 0.33
▸ TRIM33 Q9UPN9 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL7293060 0.82 PDE3B (0.54) KCNJ1PDE3BPDE3ACYP11B2PDE2A
SCHEMBL11006142 0.71 PDE3B (0.52) PDE3BPDE3ACYP11B2PDE2APDE1A
SCHEMBL30899605 0.70 KCNJ1 (0.49) KCNJ1PDE3BPDE3AALDH1A1KDM4E
SCHEMBL1735017 0.68 TRIM24 (0.53) KCNJ1TRIM24TRIM33ALDH1A1KDM4E
SCHEMBL20797345 0.68 KCNJ1 (0.46) KCNJ1ALDH1A1KDM4E
SCHEMBL20797535 0.68 KCNJ1 (0.46) KCNJ1ALDH1A1KDM4E
SCHEMBL20810916 0.68 KCNJ1 (0.46) KCNJ1ALDH1A1KDM4E
SCHEMBL20797611 0.68 KCNJ1 (0.46) KCNJ1ALDH1A1KDM4E
SCHEMBL10549917 0.68 FGFR1 (0.57) KCNJ1
SCHEMBL24409182 0.68 KCNJ1 (0.47) KCNJ1ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4847251-A CARDIOVASCULAR DISORDERS BOEHRINGER MANNHEIM GMBH (DE) 1989-07-11 — — US disclosed
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