SCHEMBL3403598

SCHEMBL3403598

COc1ccc(-c2ccc(-c3nc(C)c(C(=O)NCCC4CCCN4C)s3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 2/20 0.53
PPARA Q07869 8/20 0.52
CHRM4 P08173 4/20 0.52
PPARD Q03181 4/20 0.51
ACP1 P24666 1/20 0.47
CHRM3 P20309 1/20 0.47
MAPT P10636 4/20 0.46
TP53 P04637 1/20 0.46
LMNA P02545 1/20 0.46
PPARG P37231 1/20 0.44

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
SCHEMBL3401785 0.99 ACKR3 (0.54) ACKR3PPARACHRM4PPARDACP1
SCHEMBL3403412 0.92 CHRM4 (0.49) ACKR3PPARACHRM4PPARDACP1
SCHEMBL3405442 0.92 ACKR3 (0.59) ACKR3PPARACHRM4PPARDACP1
SCHEMBL3405220 0.91 ACKR3 (0.52) ACKR3PPARACHRM4PPARDMAPT
SCHEMBL3399982 0.90 PPARA (0.57) ACKR3PPARACHRM4PPARDCHRM3
SCHEMBL13310379 0.89 ACKR3 (0.50) ACKR3PPARACHRM4PPARDMAPT
SCHEMBL3400075 0.89 ACKR3 (0.54) ACKR3PPARACHRM4PPARDACP1
SCHEMBL3405398 0.89 ACKR3 (0.55) ACKR3PPARACHRM4PPARDMAPT
SCHEMBL3402603 0.88 TLR9 (0.53) ACKR3PPARACHRM4PPARDMAPT
SCHEMBL3399830 0.88 ACKR3 (0.54) ACKR3PPARACHRM4PPARDPPARG

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