SCHEMBL7376604

SCHEMBL7376604

Cc1nn2ccccc2c1C(=O)C(C)C

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 4/20 0.71
MIF P14174 3/20 0.71
PDE4B Q07343 3/20 0.71
PDE3A Q14432 2/20 0.71
MEN1 O00255 2/20 0.71
KMT2A Q03164 2/20 0.71
ALDH1A1 P00352 2/20 0.71
CYP1A2 P05177 2/20 0.71
CYP2C9 P11712 2/20 0.71
CYP2C19 P33261 2/20 0.71
CYP3A4 P08684 1/20 0.71
CYP2D6 P10635 1/20 0.71
TSHR P16473 1/20 0.71
PDE4A P27815 1/20 0.71
ADORA2A P29274 1/20 0.71
ADORA1 P30542 1/20 0.71
BLM P54132 1/20 0.71
PDE4C Q08493 1/20 0.71
PDE4D Q08499 1/20 0.71
PDE3B Q13370 1/20 0.71

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
SCHEMBL7510039 0.83 MIF (0.51) PDE5AMIFPDE4BPDE3AMEN1
SCHEMBL7502606 0.83 ALDH1A1 (0.51) PDE5AMIFPDE4BPDE3AMEN1
Ibudilast SCHEMBL30390 0.83 PDE4B (1.00) PDE5AMIFPDE4BPDE3AMEN1
Ibudilast SCHEMBL4194864 0.83 PDE4B (1.00) PDE5AMIFPDE4BPDE3AMEN1
SCHEMBL5848990 0.82 ALDH1A1 (0.51) PDE5AMIFPDE4BPDE3AMEN1
SCHEMBL951965 0.82 MEN1 (0.51) PDE5AMIFPDE4BPDE3AMEN1
SCHEMBL31305749 0.82 PDE5A (0.68) PDE5AMIFPDE4BPDE3AMEN1
SCHEMBL955510 0.81 MIF (0.50) PDE5AMIFPDE4BPDE3AMEN1
SCHEMBL3192852 0.81 PDE5A (0.66) PDE5AMIFPDE4BPDE3AMEN1
Ibudilast SCHEMBL1123688 0.81 PDE4B (0.94) PDE5AMIFPDE4BPDE3AMEN1

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
EP-0368343-B1 AMELIORATING COMPOSITION FOR DYSMNESIA KYORIN SEIYAKU KABUSHIKI KAISHA (JP) 1993-06-30 EP disclosed
US-4990516-A Pyrazolo (1,5-a)pyridine derivatives KYORIN SEIYAKU KABUSHIKI KAISHA (JP) 1991-02-05 US disclosed
EP-0368343-A2 Ameliorating composition for dysmnesia KYORIN SEIYAKU KABUSHIKI KAISHA (JP) 1990-05-16 EP disclosed
US-4097483-A HYPOTENSIVE AND ANTISPASMODIC AGENT KYORIN PHARMACEUTICAL CO., LTD. (JA) 1978-06-27 US disclosed
US-4028370-A SMOOTH MUSCLE RELAXANTS, CEREBRAL AND CORONARY DILATORS, HYPOTENSIVE AGENTS KYORIN PHARMACEUTICAL CO., LTD. (JA) 1977-06-07 US disclosed