SCHEMBL7458407

SCHEMBL7458407

CN(C(=O)CCCOc1ccc2[nH]c(=O)ccc2c1)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 6/20 0.64
▸ PDE3A Q14432 6/20 0.64
▸ KDM4E B2RXH2 2/20 0.64
▸ ALDH1A1 P00352 2/20 0.64
▸ MEN1 O00255 1/20 0.64
▸ PDE5A O76074 1/20 0.64
▸ CYP1A2 P05177 1/20 0.64
▸ CYP3A4 P08684 1/20 0.64
▸ HPGD P15428 1/20 0.64
▸ TSHR P16473 1/20 0.64
▸ PTAFR P25105 1/20 0.64
▸ CYP2C19 P33261 1/20 0.64
▸ BLM P54132 1/20 0.64
▸ PDE1A P54750 1/20 0.64
▸ PDE1B Q01064 1/20 0.64
▸ PMP22 Q01453 1/20 0.64
▸ KMT2A Q03164 1/20 0.64
▸ PDE1C Q14123 1/20 0.64
▸ HSD17B10 Q99714 1/20 0.64
▸ PDGFRB P09619 4/20 0.48

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
SCHEMBL11322280 0.89 PDE3B (0.60) PDE3BPDE3AKDM4EALDH1A1MEN1
SCHEMBL4925485 0.87 MEN1 (0.59) PDE3BPDE3AKDM4EALDH1A1MEN1
SCHEMBL7454181 0.85 PDE3B (0.56) PDE3BPDE3AKDM4EALDH1A1MEN1
SCHEMBL11322945 0.83 MEN1 (0.55) PDE3BPDE3AKDM4EALDH1A1MEN1
SCHEMBL11325369 0.82 KCNH2 (0.46) PDE3BPDE3AKDM4EALDH1A1MEN1
SCHEMBL7320550 0.81 MEN1 (0.46) PDE3BPDE3AKDM4EALDH1A1MEN1
SCHEMBL5630679 0.81 PDE3B (0.60) PDE3BPDE3AKDM4EALDH1A1MEN1
SCHEMBL11316238 0.80 MEN1 (0.52) PDE3BPDE3AKDM4EALDH1A1MEN1
SCHEMBL11313432 0.79 PDE3B (0.64) PDE3BPDE3AKDM4EALDH1A1MEN1
SCHEMBL11061969 0.79 PDE3B (0.61) PDE3BPDE3AKDM4EALDH1A1MEN1

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-6472425-B1 Methods for treating female sexual dysfunctions NITROMED, INC. 2002-10-29 — — US claimed
US-6462044-B2 THERAPY FOR SEXUAL DISORDERS NITROMED, INC. 2002-10-08 — — US claimed
US-6331543-B1 TREATING SEXUAL DYSFUNCTION NITROMED, INC. 2001-12-18 — — US claimed
US-6221881-B1 TREATING A SEXUAL DYSFUNCTION NITROMED, INC. 2001-04-24 — — US claimed
US-4298739-A ANTICOAGULANTS, ANTIINFLAMMATORY, ANTIULCER, VASODILATOR, PHOSPHODIESTERASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1981-11-03 — — US disclosed
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