SCHEMBL29612960

SCHEMBL29612960

O=C1c2cc3ccccc3n2CCN1C1CC1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 15/20 0.45
DRD3 P35462 3/20 0.41
KCNH2 Q12809 1/20 0.40

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
SCHEMBL18322295 1.00 PDE4A (0.45) PDE4ADRD3KCNH2
SCHEMBL30489158 0.77 PDE4A (0.52) PDE4A
SCHEMBL18330320 0.77 PDE4A (0.52) PDE4A
SCHEMBL10289862 0.76 CYP2D6 (0.49) DRD3KCNH2
SCHEMBL10255031 0.73 HRH3 (0.55) DRD3KCNH2
SCHEMBL13711919 0.73 DRD3 (0.51) DRD3KCNH2
SCHEMBL29030298 0.72 HTR2A (0.33) DRD3KCNH2
SCHEMBL30489145 0.72 HTR2A (0.33) DRD3KCNH2
Hydrochloric Acid SCHEMBL7402572 0.71 HTR3A (0.44)
SCHEMBL9259549 0.70 HTR2A (0.44) DRD3KCNH2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107787322-B Tricyclic compounds and their use as phosphodiesterase inhibitors 辉瑞大药厂 2023-07-07 CN disclosed
EP-3766885-B1 TRICYCLIC COMPOUNDS AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS PFIZER (US) 2022-05-25 EP disclosed