SCHEMBL3403435

SCHEMBL3403435

CCN(CC)C1CCN(C(=O)c2sc(-c3c(C)cc(C)cc3C)nc2C)CC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.44
CNR1 P21554 1/20 0.43
THRB P10828 3/20 0.42
THRA P10827 2/20 0.42
OXTR P30559 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
CES2 O00748 1/20 0.38
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
SIGLEC9 Q9Y336 1/20 0.36
POLB P06746 1/20 0.36
ACKR3 P25106 1/20 0.36

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
SCHEMBL3399675 0.89 HTR2C (0.51) HTR2CCNR1THRBTHRAOXTR
SCHEMBL13072006 0.86 CNR1 (0.45) HTR2CCNR1THRBTHRAOXTR
SCHEMBL3405480 0.85 THRB (0.49) HTR2CCNR1THRBTHRAOXTR
SCHEMBL3400826 0.85 HTR2C (0.48) HTR2CCNR1THRBTHRAOXTR
SCHEMBL3401068 0.85 HTR2C (0.48) HTR2CCNR1THRBTHRAOXTR
SCHEMBL3404351 0.83 HTR2C (0.49) HTR2CCNR1THRBTHRAOXTR
SCHEMBL3405718 0.82 HTR2C (0.58) HTR2CCNR1THRBTHRAOXTR
SCHEMBL3400092 0.81 HTR2C (0.47) HTR2CCNR1THRBTHRACES2
SCHEMBL3405458 0.81 HTR2C (0.47) HTR2CCNR1THRBTHRACES2
SCHEMBL3405078 0.81 HTR2C (0.47) HTR2CCNR1THRBTHRACES2

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 3 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