SCHEMBL3400872

SCHEMBL3400872

Cc1nc(-c2cccc3ccccc23)[nH]c1C(=O)N1CCN(C2CCC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HTR2C P28335 11/20 0.46
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HIF1A Q16665 1/20 0.43
ACACB O00763 5/20 0.42
ACACA Q13085 5/20 0.42
POLB P06746 1/20 0.41

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
SCHEMBL3405422 0.98 LMNA (0.48) LMNASMN1; SMN2HTR2CKDM4EALDH1A1
SCHEMBL14545934 0.89 KDM4E (0.43) LMNASMN1; SMN2KDM4EALDH1A1MEN1
SCHEMBL13072005 0.88 KDM4E (0.43) LMNASMN1; SMN2KDM4EALDH1A1MEN1
SCHEMBL5554900 0.81 HTR2C (0.43) LMNASMN1; SMN2HTR2CKDM4EALDH1A1
SCHEMBL14545939 0.80 ACACB (0.44) HTR2CKDM4EALDH1A1MEN1KMT2A
SCHEMBL14546059 0.79 HRH3 (0.46) HTR2CKDM4EALDH1A1MEN1KMT2A
SCHEMBL3405430 0.78 ACACB (0.47) LMNASMN1; SMN2KDM4EALDH1A1MEN1
SCHEMBL3401043 0.78 HTR2C (0.56) LMNASMN1; SMN2HTR2CKDM4EALDH1A1
SCHEMBL3399637 0.78 HTR2C (0.48) LMNASMN1; SMN2HTR2CKDM4EALDH1A1
SCHEMBL3400861 0.77 SIGMAR1 (0.43) LMNASMN1; SMN2KDM4EALDH1A1POLB

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