SCHEMBL3404774

SCHEMBL3404774

CCCN(CC1CC1)C1CCN(C(=O)c2sc(-c3cc(F)ccc3C)nc2C)CC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.45
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
CRHR1 P34998 4/20 0.37
CES2 O00748 1/20 0.37
CNR1 P21554 1/20 0.36
ACKR3 P25106 1/20 0.35
NPY5R Q15761 1/20 0.35
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
OXTR P30559 1/20 0.34

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
SCHEMBL3402513 0.93 HTR2C (0.45) HTR2CTHRATHRBCRHR1CES2
SCHEMBL3402686 0.91 HTR2C (0.46) HTR2CTHRATHRBCRHR1CES2
SCHEMBL3401307 0.89 HTR2C (0.46) HTR2CTHRATHRBCRHR1CES2
SCHEMBL3400092 0.89 HTR2C (0.47) HTR2CTHRATHRBCES2CNR1
SCHEMBL3403021 0.88 HTR2C (0.54) HTR2CTHRATHRBCRHR1CES2
SCHEMBL3402533 0.85 HTR2C (0.56) HTR2CCRHR1CES2CNR1OXTR
SCHEMBL3403572 0.84 HTR2C (0.52) HTR2CTHRATHRBCRHR1CES2
SCHEMBL13310193 0.84 HTR2C (0.51) HTR2CCES2CNR1OXTR
SCHEMBL3405875 0.83 HTR2C (0.44) HTR2CTHRATHRBCES2ACKR3
SCHEMBL3401445 0.83 HTR2C (0.45) HTR2CTHRBCRHR1CES2CNR1

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