SCHEMBL7416259

SCHEMBL7416259

COc1ccc(-c2cccnn2)cc1OC1CCCC1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 10/20 0.58
PDE4D Q08499 10/20 0.55
PDE4B Q07343 5/20 0.55
PDE4C Q08493 5/20 0.55
FPR2 P25090 3/20 0.53
S1PR1 P21453 1/20 0.51
S1PR3 Q99500 1/20 0.51

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
SCHEMBL27736352 0.83 ALDH1A1 (0.50) PDE4APDE4DPDE4BPDE4C
SCHEMBL8204793 0.83 PDE4A (0.77) PDE4APDE4DPDE4BPDE4CFPR2
SCHEMBL5823060 0.80 PDE4A (0.77) PDE4APDE4DPDE4BPDE4CFPR2
SCHEMBL9260769 0.80 PDE4A (0.56) PDE4APDE4DPDE4BPDE4CFPR2
SCHEMBL9183609 0.80 PDE4A (0.56) PDE4APDE4DPDE4BPDE4CFPR2
SCHEMBL9257412 0.79 PDE4A (0.55) PDE4APDE4DPDE4BPDE4CFPR2
SCHEMBL9266611 0.79 PDE4A (0.55) PDE4APDE4DPDE4BPDE4CFPR2
SCHEMBL3121240 0.77 PDE4A (0.51) PDE4APDE4DPDE4BPDE4C
Hydrochloric Acid SCHEMBL8203396 0.77 PDE4A (0.77) PDE4APDE4DPDE4BPDE4CFPR2
SCHEMBL5818764 0.77 PDE4A (0.76) PDE4APDE4DPDE4BPDE4CFPR2

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-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
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
EP-0618889-A1 TRI-SUBSTITUTED PHENYL DERIVATIVES AND PROCESSES FOR THEIR PREPARATION CELLTECH THERAPEUTICS LIMITED (GB) 1994-10-12 EP disclosed
WO-1994010118-A1 TRI-SUBSTITUTED PHENYL DERIVATIVES AND PROCESSES FOR THEIR PREPARATION CELLTECH LIMITED (GB) 1994-05-11 WO disclosed