SCHEMBL8699472

SCHEMBL8699472

CCCCc1ccc(N2CCN(C(=O)Nc3cc(CC)c(C)nc3OC)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 2/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
PANK3 Q9H999 1/20 0.45
MAPT P10636 4/20 0.43
ALDH1A1 P00352 2/20 0.43
RBP4 P02753 1/20 0.43
LMNA P02545 2/20 0.42
TP53 P04637 1/20 0.42
DGAT1 O75907 2/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 1/20 0.40
GFER P55789 1/20 0.40
S1PR1 P21453 1/20 0.40
ME2 P23368 1/20 0.40
ME1 P48163 1/20 0.40
ME3 Q16798 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL8703929 0.88 RBP4 (0.47) KMT2AMAPTALDH1A1RBP4LMNA
SCHEMBL8703466 0.88 MAPT (0.48) KMT2AMAPTALDH1A1RBP4LMNA
SCHEMBL8703304 0.88 MAPT (0.55) KMT2AMAPTALDH1A1RBP4LMNA
SCHEMBL8704891 0.87 MAPT (0.53) PANK3MAPTALDH1A1RBP4LMNA
SCHEMBL8699319 0.87 RBP4 (0.45) PDGFRBKMT2AMAPTALDH1A1RBP4
SCHEMBL8704931 0.86 RBP4 (0.57) KMT2AMEN1MAPTALDH1A1RBP4
SCHEMBL8702942 0.86 MAPT (0.53) KMT2APANK3MAPTALDH1A1RBP4
SCHEMBL9057828 0.85 MAPT (0.53) KMT2AMAPTALDH1A1LMNATP53
SCHEMBL8704733 0.85 PANK3 (0.49) PDGFRBKMT2APANK3MAPTALDH1A1
SCHEMBL8703751 0.85 MAPT (0.48) KMT2AMAPTALDH1A1RBP4LMNA

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-5780472-A ANTITUMOR AGENTS SAMJIN PHARMACEUTICAZL CO., LTD. (KR) 1998-07-14 US disclosed
EP-0749425-A1 NEW PIPERAZINE DERIVATIVES AND METHODS FOR THE PREPARATION THEREOF AND COMPOSITIONS CONTAINING THE SAME SAMJIN PHARM. CO., LTD. (KR) 1996-12-27 EP 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