SCHEMBL3405779

SCHEMBL3405779

CCOCn1cc(C(=O)N2CCN(C3CCCC3)CC2)nc1-c1cccc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.45
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
RAB9A P51151 1/20 0.43
CCKAR P32238 6/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 2/20 0.39
ACACB O00763 2/20 0.39
ACACA Q13085 2/20 0.39
HPGD P15428 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
KDM4E B2RXH2 2/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL3402067 0.90 MEN1 (0.44) HTR2CKMT2AMEN1RAB9ACCKAR
SCHEMBL3399820 0.88 HTR2C (0.44) HTR2CKMT2AMEN1RAB9ACCKAR
SCHEMBL3401079 0.84 HTR2C (0.43) HTR2CKMT2ACCKARLMNA
SCHEMBL3405325 0.78 HTR2C (0.36) HTR2CALDH1A1HRH3KDM4E
SCHEMBL3405387 0.77 HTR2C (0.56) HTR2CKMT2AMEN1RAB9ALMNA
SCHEMBL3398807 0.75 HTR2C (0.56) HTR2CKMT2AMEN1LMNASMN1; SMN2
SCHEMBL3404758 0.75 HTR2C (0.47) HTR2CKMT2AMEN1RAB9ALMNA
SCHEMBL3402695 0.75 HTR2C (0.56) HTR2CKMT2AMEN1LMNASMN1; SMN2
SCHEMBL3405408 0.75 HTR2C (0.47) HTR2CKMT2AMEN1RAB9ALMNA
SCHEMBL3404715 0.75 GAA (0.46) HTR2CALDH1A1ACACBACACAHRH3

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