SCHEMBL3402209

SCHEMBL3402209

CSc1cccc(-c2nc(C)c(C(=O)NCCC3CCCN3C)s2)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 2/20 0.52
CHRM4 P08173 4/20 0.49
PPARA Q07869 5/20 0.44
PPARD Q03181 4/20 0.44
NPC1 O15118 1/20 0.44
HPGD P15428 1/20 0.44
PPARG P37231 2/20 0.41
LCK P06239 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HTR1A P08908 2/20 0.41
POLR1A O95602 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 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
SCHEMBL3400075 0.88 ACKR3 (0.54) ACKR3CHRM4PPARAPPARDNPC1
SCHEMBL3402412 0.87 ACKR3 (0.53) ACKR3CHRM4PPARAPPARDNPC1
SCHEMBL3399976 0.86 ACKR3 (0.52) ACKR3CHRM4PPARAPPARDNPC1
SCHEMBL3403919 0.85 ACKR3 (0.51) ACKR3CHRM4PPARAPPARDNPC1
SCHEMBL13310232 0.85 CHRM4 (0.57) ACKR3CHRM4PPARAPPARDNPC1
SCHEMBL3402628 0.85 ACKR3 (0.51) ACKR3CHRM4PPARAPPARDNPC1
SCHEMBL3405362 0.85 ACKR3 (0.55) ACKR3CHRM4PPARAPPARDNPC1
SCHEMBL3398440 0.84 ACKR3 (0.51) ACKR3CHRM4PPARAPPARDNPC1
SCHEMBL3405145 0.84 CHRM4 (0.52) ACKR3CHRM4PPARAPPARDNPC1
SCHEMBL3402472 0.84 HPGD (0.47) CHRM4PPARAPPARDNPC1HPGD

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