SCHEMBL4785878

SCHEMBL4785878

CC(C)(C)OC(=O)N1CCN(C(=O)Cn2cc(-c3ccccc3)[nH]c2=S)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 1/20 0.48
DTYMK P23919 2/20 0.47
CHRM2 P08172 1/20 0.45
CHRM4 P08173 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45
CKS1B P61024 2/20 0.43
SKP1 P63208 2/20 0.43
SKP2 Q13309 2/20 0.43
HPGDS O60760 2/20 0.43
GPR119 Q8TDV5 1/20 0.41
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
USP19 O94966 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
ESR2 Q92731 1/20 0.39
TERT O14746 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
SCHEMBL4740458 0.80 HTT (0.47) KITCKS1BSKP1SKP2HPGDS
SCHEMBL23410239 0.74 PTGS2 (0.55) KITDTYMKCHRM2CHRM4CHRM1
SCHEMBL4786062 0.73 RAB9A (0.50) KDM4EALDH1A1MAPT
SCHEMBL4785588 0.73 GFER (0.47) KDM4EALDH1A1MAPT
SCHEMBL23410271 0.72 GPR119 (0.52) KITDTYMKCHRM2CHRM4CHRM1
SCHEMBL4720508 0.70 HSD11B1 (0.60) DTYMKCHRM2CHRM4CHRM1CHRM3
SCHEMBL2104155 0.70 DRD2 (0.56) KITHPGDSGPR119KDM4EPKM
SCHEMBL23410427 0.69 PTGS2 (0.66) DTYMKCHRM2CHRM4CHRM1CHRM3
SCHEMBL9886515 0.69 KMT2A (0.60) DTYMKCHRM2CHRM4CHRM1CHRM3
SCHEMBL4783037 0.69 LMNA (0.43) KDM4EALDH1A1MAPT

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
WO-2008085008-A1 T-CELL INHIBITING COMPOUNDS AND THEIR USE FOR THE TREATMENT OF T-CELL-MEDIATED DISEASES MOGAM BIOTECHNOLOGY RESEARCH INSTITUTE (KR) 2008-07-17 WO claimed
WO-2008085008-A1 T-CELL INHIBITING COMPOUNDS AND THEIR USE FOR THE TREATMENT OF T-CELL-MEDIATED DISEASES MOGAM BIOTECHNOLOGY RESEARCH INSTITUTE (KR) 2008-07-17 WO disclosed