SCHEMBL3404758

SCHEMBL3404758

CCn1c(-c2cccc3ccccc23)nc(F)c1C(=O)N1CCN(C2CCCC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.47
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
USP2 O75604 1/20 0.42
TSHR P16473 1/20 0.42
UBE2N P61088 1/20 0.42
ACACB O00763 3/20 0.41
ACACA Q13085 3/20 0.41
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 3/20 0.41
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HIF1A Q16665 1/20 0.40
PARP1 P09874 1/20 0.39
RAB9A P51151 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
SCHEMBL3402170 0.98 HTR2C (0.47) HTR2CSMN1; SMN2LMNAUSP2TSHR
SCHEMBL3405387 0.90 HTR2C (0.56) HTR2CSMN1; SMN2LMNAUSP2TSHR
SCHEMBL3405408 0.89 HTR2C (0.47) HTR2CSMN1; SMN2LMNAUSP2TSHR
SCHEMBL3401043 0.89 HTR2C (0.56) HTR2CSMN1; SMN2LMNAUSP2TSHR
SCHEMBL3399744 0.87 HTR2C (0.47) HTR2CSMN1; SMN2LMNAUSP2TSHR
SCHEMBL3405306 0.86 HTR2C (0.45) HTR2CSMN1; SMN2LMNAUSP2TSHR
SCHEMBL3401027 0.85 HTR2C (0.46) HTR2CSMN1; SMN2LMNAUSP2TSHR
SCHEMBL3398807 0.83 HTR2C (0.56) HTR2CSMN1; SMN2LMNAUSP2ACACB
SCHEMBL3401298 0.83 HTR2C (0.46) HTR2CSMN1; SMN2LMNAUSP2TSHR
SCHEMBL3403662 0.82 ACACB (0.44) HTR2CSMN1; SMN2LMNAUSP2TSHR

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