SCHEMBL3399952

SCHEMBL3399952

Cc1ccc(F)c(-c2nc(C)c(C(=O)NCCC3CCCN3C)s2)c1Cl

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 4/20 0.55
ACKR3 P25106 3/20 0.46
LCK P06239 1/20 0.41
EED O75530 1/20 0.39
PPARA Q07869 2/20 0.39
POLR1A O95602 1/20 0.39
BTK Q06187 1/20 0.39
CHRM3 P20309 3/20 0.38

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
SCHEMBL3399888 0.84 CHRM4 (0.45) CHRM4
SCHEMBL3402294 0.84 CHRM4 (0.56) CHRM4ACKR3LCKEEDPPARA
SCHEMBL3401302 0.84 CHRM4 (0.53) CHRM4ACKR3PPARACHRM3
SCHEMBL3404888 0.84 CHRM4 (0.53) CHRM4ACKR3PPARACHRM3
SCHEMBL3405722 0.84 CHRM4 (0.50) CHRM4ACKR3LCKPPARABTK
SCHEMBL3404959 0.84 CHRM4 (0.44) CHRM4
SCHEMBL13309884 0.83 CHRM4 (0.51) CHRM4ACKR3PPARACHRM3
SCHEMBL3399661 0.82 CHRM4 (0.53) CHRM4ACKR3LCKPPARACHRM3
SCHEMBL3405415 0.82 CHRM4 (0.54) CHRM4ACKR3LCKPPARAPOLR1A
SCHEMBL3401074 0.81 THRB (0.47) CHRM4

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