SCHEMBL3399419

SCHEMBL3399419

Cc1nc(-c2ccc(Oc3ccccc3)cc2)sc1C(=O)N1CCC(N2CCCCCC2)CC1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.56
CNR1 P21554 1/20 0.54
LMNA P02545 1/20 0.50
HTR2C P28335 4/20 0.49
OXTR P30559 1/20 0.49
L3MBTL3 Q96JM7 3/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
MBTD1 Q05BQ5 1/20 0.48
ACHE P22303 1/20 0.48
THRA P10827 2/20 0.47
THRB P10828 2/20 0.47
TP53BP1 Q12888 1/20 0.45

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
SCHEMBL13309671 1.00 HRH3 (0.56) HRH3CNR1LMNAHTR2COXTR
SCHEMBL3399450 0.99 CNR1 (0.55) HRH3CNR1LMNAHTR2COXTR
SCHEMBL3405392 0.91 CNR1 (0.55) HRH3CNR1LMNAHTR2COXTR
SCHEMBL3403003 0.91 CNR1 (0.65) HRH3CNR1LMNAHTR2COXTR
SCHEMBL3405391 0.91 CNR1 (0.65) HRH3CNR1LMNAHTR2COXTR
SCHEMBL3398959 0.90 HRH3 (0.56) HRH3CNR1LMNAHTR2COXTR
SCHEMBL13309807 0.90 HRH3 (0.56) HRH3CNR1LMNAHTR2COXTR
SCHEMBL13309675 0.89 HRH3 (0.55) HRH3CNR1LMNAHTR2COXTR
SCHEMBL3405591 0.89 HRH3 (0.55) HRH3CNR1LMNAHTR2COXTR
SCHEMBL13309672 0.89 HRH3 (0.47) HRH3CNR1LMNAHTR2COXTR

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-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed
WO-2006089076-A9 THIAZOLE AMIDES, IMIDAZOLE AMIDES AND RELATED ANALOGUES NEUROGEN CORP (US) 2007-04-26 WO disclosed