SCHEMBL7794296

SCHEMBL7794296

C=CCNCCCOc1ccc2[nH]c(=O)ccc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 14/20 0.45
▸ ALDH1A1 P00352 4/20 0.45
▸ KDM4E B2RXH2 3/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ PDE5A O76074 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ PTAFR P25105 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ BLM P54132 1/20 0.45
▸ PDE1A P54750 1/20 0.45
▸ PDE1B Q01064 1/20 0.45
▸ PMP22 Q01453 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ PDE3B Q13370 1/20 0.45
▸ PDE1C Q14123 1/20 0.45
▸ PDE3A Q14432 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45

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
SCHEMBL7801986 0.84 DRD2 (0.50) DRD2ALDH1A1KDM4EMEN1PDE5A
SCHEMBL7803132 0.82 PDE3B (0.49) DRD2ALDH1A1KDM4EMEN1PDE5A
SCHEMBL7802210 0.81 KDM4E (0.52) DRD2ALDH1A1KDM4EMEN1PDE5A
SCHEMBL6031875 0.79 PDE3B (0.53) DRD2ALDH1A1KDM4EMEN1PDE5A
SCHEMBL7854620 0.79 CA12 (0.54) ALDH1A1KDM4EMEN1PDE5ACYP1A2
SCHEMBL7802069 0.79 KDM4E (0.50) DRD2ALDH1A1KDM4EMEN1PDE5A
SCHEMBL6585256 0.77 PDE3B (0.53) DRD2ALDH1A1KDM4EMEN1PDE5A
SCHEMBL8860906 0.76 DRD2 (0.59) DRD2KDM4EFAAH
SCHEMBL5474312 0.76 PDE3B (0.55) DRD2ALDH1A1KDM4EMEN1PDE5A
SCHEMBL8860585 0.76 PDE3B (0.52) DRD2ALDH1A1KDM4EMEN1PDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0796248-B1 CARBOSTYRIL DERIVATIVES AS ANTITHROMBOTIC AGENTS WESTERN THERAPEUTICS INST D (JP) 2001-08-16 — — EP disclosed
US-6143763-A Carbostyril derivatives D. WESTERN THERAPEUTICS INSTITIUTE (JP) 2000-11-07 — — US disclosed
EP-0796248-A1 CARBOSTYRIL DERIVATIVES AS ANTITHROMBOTIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-09-24 — — EP disclosed
WO-1997012869-A1 CARBOSTYRIL DERIVATIVES AS ANTITHROMBOTIC AGENTS OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1997-04-10 — — WO disclosed
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