SCHEMBL8552790

SCHEMBL8552790

CC(C)COC(=O)N1CCCC(CCCc2cccc3[nH]c(Cc4ccc(Cl)cc4)nc23)C1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DGAT2 Q96PD7 4/20 0.40
PPARA Q07869 4/20 0.35
PPARG P37231 3/20 0.35
FAAH O00519 1/20 0.35
HPGD P15428 1/20 0.34
POLB P06746 2/20 0.34
ALDH1A1 P00352 1/20 0.34
AKR1C3 P42330 1/20 0.33
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
KIT P10721 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33

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
SCHEMBL8555474 0.87 DGAT2 (0.36) DGAT2PPARAPPARGFAAHAKR1C3
SCHEMBL8620953 0.81 DGAT2 (0.41) DGAT2PPARAPPARGJAK2JAK1
SCHEMBL8551796 0.78 DGAT2 (0.42) DGAT2PPARAPPARGJAK2JAK1
SCHEMBL8551914 0.78 PARP1 (0.39)
SCHEMBL8555848 0.76 DGAT2 (0.39) DGAT2
SCHEMBL8552642 0.75 DGAT2 (0.41) DGAT2PPARAPPARG
SCHEMBL8552592 0.74 GPR119 (0.39) DGAT2
SCHEMBL8551506 0.74 NPY1R (0.43)
SCHEMBL8550682 0.71 DGAT2 (0.44) DGAT2
SCHEMBL8555023 0.71 KMT2A (0.35) HPGDALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0871442-A1 BENZIMIDZOLYL NEUROPEPTIDE Y RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1998-10-21 EP disclosed
WO-1997025041-A1 BENZIMIDZOLYL NEUROPEPTIDE Y RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1997-07-17 WO disclosed