SCHEMBL7314903

SCHEMBL7314903

COc1ccc(CCc2ccccn2)cc1OC1CCCC1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.54
ACHE P22303 1/20 0.54
PDE4D Q08499 6/20 0.53
PDE4A P27815 13/20 0.53
PDE4B Q07343 6/20 0.53
PDE4C Q08493 4/20 0.53
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47

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
Hydrochloric Acid SCHEMBL7387770 0.99 ALOX15 (0.53) ALOX15ACHEPDE4DPDE4APDE4B
SCHEMBL7316969 0.85 PDE4A (0.49) PDE4DPDE4APDE4BPDE4C
SCHEMBL9275364 0.82 ALDH1A1 (0.56) ALOX15PDE4DPDE4APDE4BPDE4C
SCHEMBL7390993 0.81 PDE4A (0.48) PDE4DPDE4APDE4BPDE4C
SCHEMBL6889304 0.81 PDE4A (0.63) PDE4DPDE4APDE4BPDE4C
SCHEMBL7388392 0.81 PDE4D (0.53) PDE4DPDE4APDE4BPDE4CKDM4E
SCHEMBL8688573 0.80 PDE4A (0.50) PDE4DPDE4APDE4BPDE4C
Hydrochloric Acid SCHEMBL6887553 0.80 PDE4A (0.62) PDE4DPDE4APDE4BPDE4C
Methyl Alcohol SCHEMBL7418694 0.80 PDE4B (0.53) PDE4DPDE4APDE4BPDE4C
SCHEMBL7341287 0.80 PDE4A (0.62) PDE4DPDE4APDE4BPDE4C

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-5739144-A INHIBITORS OF PHOSPHODIESTERASE ENZYMES CELLTECH THERAPEUTICS LIMITED (GB) 1998-04-14 US claimed
EP-0640065-B1 TRISUBSTITUTED PHENYL DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS AND PROCESSES FOR THEIR PREPARATION CELLTECH THERAPEUTICS LTD (GB) 2001-10-17 EP disclosed
US-5962483-A ANTIASTHMA AGENTS; ANTIINFLAMMATORY AGENTS CELLTECH THERAPEUTICS, LIMITED (GB) 1999-10-05 US disclosed
US-5780478-A Tetra-substituted phenyl derivatives CELLTECH THERAPEUTICS, LIMITED (GB) 1998-07-14 US disclosed
US-5739144-A INHIBITORS OF PHOSPHODIESTERASE ENZYMES CELLTECH THERAPEUTICS LIMITED (GB) 1998-04-14 US disclosed