SCHEMBL7366534

SCHEMBL7366534

COc1ccc(-c2ccnc3ccnn23)cc1C1CC2CCC1C2

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 12/20 0.40
CFTR P13569 7/20 0.39
AAK1 Q2M2I8 1/20 0.38

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
SCHEMBL9378017 0.83 PDE4D (0.54) PDE4DCFTR
SCHEMBL26848367 0.76 FYN (0.52) CFTRAAK1
SCHEMBL11582196 0.69 HSP90AA1 (0.43) PDE4D
SCHEMBL31579186 0.69 TUBB4A (0.49) AAK1
SCHEMBL7361447 0.65 KMT2A (0.40) PDE4D
SCHEMBL21575262 0.64 AAK1 (0.49) CFTRAAK1
SCHEMBL7364772 0.63 PDE4D (0.55) PDE4D
SCHEMBL13117256 0.62 PDE10A (0.50)
SCHEMBL5946490 0.62 EGLN2 (0.45)
SCHEMBL7294110 0.62 PDE4A (0.60) PDE4D

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-5294730-A A-Amino-4-alkoxy-3-polycycloalkyloxybenzyl cyanide derivatives PFIZER INC. (US) 1994-03-15 US disclosed
US-5196426-A CALCIUM INDEPENDENT C AMP PHOSPHODIESTERASE INHIBITOR ANTIDEPRESSANT PFIZER INC. (US) 1993-03-23 US disclosed
US-5128358-A Aryl substituted nitrogen heterocyclic antidepressants PFIZER INC. (US) 1992-07-07 US disclosed
WO-1987006576-A1 CALCIUM INDEPENDENT CAMP PHOSPHODIESTERASE INHIBITOR ANTIDEPRESSANT PFIZER INC. (US) 1987-11-05 WO disclosed