SCHEMBL3402380

SCHEMBL3402380

Cc1nc(-c2ccc(Cl)c(C(F)(F)F)c2)sc1C(=O)N1CCN(C2CCCC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
THRA P10827 4/20 0.45
THRB P10828 4/20 0.45
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
CNR1 P21554 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
DHODH Q02127 1/20 0.40
LMNA P02545 1/20 0.40
NSD2 O96028 1/20 0.40
HRH3 Q9Y5N1 2/20 0.39
HTR2C P28335 3/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SCN5A Q14524 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.39
NOTUM Q6P988 1/20 0.39
HSD11B1 P28845 1/20 0.38

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 0.92 THRA (0.48) THRATHRBCNR1LMNAHRH3
SCHEMBL3400910 0.92 THRA (0.48) THRATHRBCNR1LMNAHRH3
SCHEMBL3399794 0.89 THRA (0.49) THRATHRBALDH1A1HPGDCNR1
SCHEMBL3399702 0.88 THRA (0.47) THRATHRBALDH1A1HPGDCNR1
SCHEMBL3406141 0.86 THRA (0.47) THRATHRBALDH1A1HPGDCNR1
SCHEMBL3405561 0.85 ALDH1A1 (0.53) THRATHRBALDH1A1HPGDCNR1
SCHEMBL3399712 0.84 CNR1 (0.44) THRATHRBALDH1A1HPGDCNR1
SCHEMBL3399714 0.84 HTR2C (0.43) ALDH1A1HPGDSMN1; SMN2LMNAHTR2C
SCHEMBL3398825 0.83 SCN5A (0.54) THRATHRBALDH1A1HPGDCNR1
SCHEMBL3404145 0.83 ALDH1A1 (0.60) THRATHRBALDH1A1HPGDCNR1

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