SCHEMBL8206942

SCHEMBL8206942

COc1ccc(-c2ccccc2C#N)cc1OC1CCCC1

nearest known ligand 0.76

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 1/20 0.57
▸ PDE1A P54750 1/20 0.57
▸ PDE1B Q01064 1/20 0.57
▸ PDE1C Q14123 1/20 0.57
▸ PDE4A P27815 8/20 0.55
▸ PDE4D Q08499 6/20 0.51
▸ PDE4B Q07343 5/20 0.51
▸ PDE4C Q08493 5/20 0.51
▸ PGR P06401 1/20 0.49
▸ AR P10275 1/20 0.49

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
SCHEMBL12370758 0.86 — —
SCHEMBL8483493 0.85 PDE4A (0.65) PDE4APDE4DPDE4BPDE4C
SCHEMBL8204723 0.82 PDE4A (0.60) PDE4APDE4DPDE4BPDE4C
SCHEMBL8478447 0.81 PDE4A (0.59) PDE4APDE4DPDE4BPDE4C
SCHEMBL5823060 0.79 PDE4A (0.77) PDE4APDE4DPDE4BPDE4C
SCHEMBL7441718 0.79 PDE4A (0.62) PDE4APDE4DPDE4BPDE4C
SCHEMBL8209553 0.79 PDE4A (0.56) PDE4APDE4DPDE4BPDE4C
SCHEMBL7445077 0.79 PDE4A (0.61) PDE5APDE1APDE1BPDE1CPDE4A
SCHEMBL7696540 0.78 PDE4A (0.72) PDE4APDE4DPDE4BPDE4C
SCHEMBL9701913 0.78 KDM4E (0.53) PDE5APDE1APDE1BPDE1CPDE4A

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
US-6080790-A SELECTIVE AND POTENT INHIBITORS OF PHOSPHODIESTERASE IV AND ARE USEFUL FOR THE PROPHYLAXIS AND TREATMENT OF INFLAMMATORY DISEASES AND THE ALLEVIATION OF CONDITIONS ASSOCIATED WITH CENTRAL NERVOUS MALFUNCTION CELLTECH THERAPEUTICS, LIMITED (GB) 2000-06-27 — — US disclosed
EP-0618889-B1 TRI-SUBSTITUTED PHENYL DERIVATIVES AND PROCESSES FOR THEIR PREPARATION CELLTECH THERAPEUTICS LTD (GB) 1998-12-30 — — EP disclosed
US-5674880-A ANTIINFLAMMATORY AGENT CELLTECH THERAPEUTICS LIMITED (GB) 1997-10-07 — — US disclosed
US-5491147-A PHOSPHODIESTERASE IV INHIBITORS CELLTECH, LIMITED (GB) 1996-02-13 — — US disclosed
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