SCHEMBL6223368

SCHEMBL6223368

O=C(Cl)Oc1cn(CC2CC2)c2ncccc12

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HTR3A P46098 9/20 0.40
▸ ELANE P08246 4/20 0.38
▸ CNR2 P34972 3/20 0.36
▸ CNR1 P21554 2/20 0.36

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
SCHEMBL6223291 0.89 HTR3A (0.39) HTR3AELANECNR2CNR1
SCHEMBL3534667 0.81 HTR3A (0.47) HTR3AELANECNR2CNR1
SCHEMBL6223554 0.81 PDE4A (0.47) ELANE
SCHEMBL6223244 0.80 EPHX1 (0.40) CNR1
SCHEMBL3533287 0.77 KDM4E (0.45) HTR3AELANECNR2CNR1
Hydrochloric Acid SCHEMBL3534671 0.76 HTR3A (0.44) HTR3AELANECNR2CNR1
SCHEMBL27521014 0.74 ELANE (0.41) HTR3AELANECNR2CNR1
SCHEMBL9262806 0.69 PRKCB (0.44) HTR3AELANECNR2CNR1
SCHEMBL5552779 0.69 PDE4A (0.55) HTR3AELANECNR2CNR1
SCHEMBL3540199 0.69 CNR1 (0.53) HTR3AELANECNR2CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1330455-B1 NOVEL 7-AZAINDOLES, USE THEREOF AS PHOSPHODIESTERASE 4 INHIBITORS AND METHOD FOR PRODUCING THE SAME ELBION AG (DE) 2005-08-03 — — EP disclosed
EP-1330455-A1 NOVEL 7-AZAINDOLES, USE THEREOF AS PHOSPHODIESTERASE 4 INHIBITORS AND METHOD FOR PRODUCING THE SAME Elbion AG (DE) 2003-07-30 — — EP disclosed
WO-2002034747-A1 NOVEL 7-AZAINDOLES, USE THEREOF AS PHOSPHODIESTERASE 4 INHIBITORS AND METHOD FOR PRODUCING THE SAME ELBION AG (DE) 2002-05-02 — — WO disclosed
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