SCHEMBL3400910

SCHEMBL3400910

Cc1nc(-c2ccc(Cl)c(C(F)(F)F)c2)sc1C(=O)N1CCC(N2CCCCCC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRA P10827 4/20 0.48
THRB P10828 4/20 0.48
HRH3 Q9Y5N1 4/20 0.47
L3MBTL3 Q96JM7 4/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
HTR2C P28335 3/20 0.42
CNR1 P21554 1/20 0.42
LRRK2 Q5S007 1/20 0.42
LMNA P02545 1/20 0.41
OXTR P30559 1/20 0.41
P2RX7 Q99572 1/20 0.41
MBTD1 Q05BQ5 2/20 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
SCHEMBL13310094 1.00 THRA (0.48) THRATHRBHRH3L3MBTL3L3MBTL1
SCHEMBL3402380 0.92 THRA (0.45) THRATHRBHRH3HTR2CCNR1
SCHEMBL3398363 0.89 THRA (0.52) THRATHRBHRH3L3MBTL3L3MBTL1
SCHEMBL3402165 0.88 THRA (0.50) THRATHRBHRH3L3MBTL3L3MBTL1
SCHEMBL3402095 0.88 THRA (0.50) THRATHRBHRH3L3MBTL3L3MBTL1
SCHEMBL3399760 0.86 HRH3 (0.52) THRATHRBHRH3L3MBTL3L3MBTL1
SCHEMBL3399445 0.86 HRH3 (0.52) THRATHRBHRH3L3MBTL3L3MBTL1
SCHEMBL3401794 0.85 NPC1 (0.52) THRATHRBHRH3L3MBTL3L3MBTL1
SCHEMBL3397121 0.84 HTR2C (0.46) THRATHRBHRH3L3MBTL3L3MBTL1
SCHEMBL13072002 0.84 HTR2C (0.46) THRATHRBHRH3L3MBTL3L3MBTL1

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