SCHEMBL2936288

SCHEMBL2936288

N=C(N)c1sccc1-c1ccc2[nH]cc(CCN3CCCC3)c2c1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HTR1D P28221 12/20 0.60
▸ HTR1B P28222 12/20 0.60
▸ MPO P05164 3/20 0.52
▸ HTR2A P28223 3/20 0.51
▸ BRD4 O60885 1/20 0.49

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
SCHEMBL4791616 0.80 SLC6A4 (0.55) HTR1DHTR1BMPOHTR2A
SCHEMBL8686765 0.76 HTR1D (1.00) HTR1DHTR1BMPOHTR2ABRD4
SCHEMBL8903385 0.75 HTR1D (0.98) HTR1DHTR1BMPOHTR2ABRD4
SCHEMBL2934047 0.72 MPO (0.71) HTR1DHTR1BMPOHTR2ABRD4
SCHEMBL27095364 0.72 HTR7 (0.71) HTR1DHTR1BMPOHTR2A
SCHEMBL26989598 0.71 HTR7 (0.70) HTR1DHTR1BMPOHTR2A
SCHEMBL733997 0.69 MPO (1.00) HTR1DHTR1BMPOHTR2A
SCHEMBL8506914 0.69 HTR1D (0.71) HTR1DHTR1BMPOHTR2ABRD4
SCHEMBL2933511 0.69 HTR1A (0.75) HTR1DHTR1BMPOHTR2A
SCHEMBL26508359 0.69 HTR7 (0.71) HTR1DHTR1BMPOHTR2A

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
EP-2220075-A1 INDOLE COMPOUNDS AND METHODS FOR TREATING VISCERAL PAIN Neuraxon, INC. (CA) 2010-08-25 — — EP disclosed
WO-2009062319-A1 INDOLE COMPOUNDS AND METHODS FOR TREATING VISCERAL PAIN NEURAXON, INC. (CA) 2009-05-22 — — WO disclosed
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