SCHEMBL8699449

SCHEMBL8699449

COc1ccc(N2CCN(C(=O)Nc3cc(C)c(C)nc3OC)CC2)cc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 3/20 0.48
TP53 P04637 3/20 0.45
LMNA P02545 2/20 0.45
USP2 O75604 2/20 0.45
TSHR P16473 2/20 0.45
HSD17B10 Q99714 2/20 0.45
POLB P06746 1/20 0.45
ALOX15 P16050 1/20 0.45
MAPT P10636 5/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GAA P10253 1/20 0.43
THRB P10828 1/20 0.43
HTR1A P08908 6/20 0.43
HTR1D P28221 6/20 0.43
HTR1B P28222 6/20 0.43
HTR2A P28223 3/20 0.42
HTR2C P28335 2/20 0.42

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
SCHEMBL8699243 0.89 RBP4 (0.48) RBP4TP53LMNAUSP2TSHR
SCHEMBL8701309 0.88 RBP4 (0.46) RBP4TP53LMNAUSP2TSHR
SCHEMBL8705667 0.88 MAPT (0.49) RBP4TP53LMNAMAPTKMT2A
SCHEMBL9057398 0.85 GAA (0.51) RBP4TP53LMNAUSP2TSHR
SCHEMBL6954279 0.84 KMT2A (0.49) RBP4TP53LMNATSHRHSD17B10
SCHEMBL6652808 0.84 RBP4 (0.57) RBP4TP53LMNAUSP2TSHR
SCHEMBL27484486 0.84 KMT2A (0.62) TP53LMNAUSP2TSHRHSD17B10
SCHEMBL6963524 0.83 KMT2A (0.43) RBP4TP53LMNAUSP2TSHR
SCHEMBL8700254 0.83 GAA (0.56) RBP4TP53LMNAUSP2TSHR
SCHEMBL8702969 0.82 RBP4 (0.49) RBP4TP53LMNAPOLBMAPT

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
US-5780472-A ANTITUMOR AGENTS SAMJIN PHARMACEUTICAZL CO., LTD. (KR) 1998-07-14 US disclosed
WO-1996021648-A1 NEW PIPERAZINE DERIVATIVES AND METHODS FOR THE PREPARATION THEREOF AND COMPOSITIONS CONTAINING THE SAME SAMJIN PHARMACEUTICAL CO., LTD. (KR) 1996-07-18 WO disclosed