SCHEMBL3402654

SCHEMBL3402654

Cc1nc(C)c(C(=O)N2CCN(C(C)C)CC2)s1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGLEC9 Q9Y336 1/20 0.48
PARP1 P09874 1/20 0.44
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
HPGD P15428 1/20 0.42
HRH3 Q9Y5N1 5/20 0.41
CNR1 P21554 1/20 0.41
HTR2C P28335 2/20 0.41
CHRNA7 P36544 1/20 0.40
PDE2A O00408 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
SCHEMBL13779957 0.83 HTR2C (0.55) SIGLEC9PARP1ALDH1A1MEN1KMT2A
SCHEMBL3405665 0.81 ALDH1A1 (0.45) ALDH1A1MEN1KMT2ALMNAMAPK1
SCHEMBL3454926 0.81 ALDH1A1 (0.59) SIGLEC9ALDH1A1MEN1KMT2ALMNA
SCHEMBL29944007 0.81 ALDH1A1 (0.59) SIGLEC9ALDH1A1MEN1KMT2ALMNA
SCHEMBL3405399 0.79 CNR1 (0.57) PARP1ALDH1A1HRH3CNR1HTR2C
SCHEMBL3404912 0.79 CNR1 (0.51) PARP1HRH3CNR1HTR2C
SCHEMBL3401781 0.79 CNR1 (0.70) PARP1ALDH1A1MEN1KMT2ALMNA
SCHEMBL3404209 0.78 HTR2C (0.49) PARP1ALDH1A1HPGDHRH3CNR1
SCHEMBL3405573 0.78 HTR2C (0.52) SIGLEC9PARP1ALDH1A1MEN1KMT2A
SCHEMBL3405446 0.78 CNR1 (0.47) PARP1ALDH1A1MEN1KMT2AHPGD

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 1 patent. 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