SCHEMBL6963379

SCHEMBL6963379

C=C(C)c1ccccc1N1CCN(C(=O)Nc2cc(CC)c(C)nc2OC)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 3/20 0.46
KMT2A Q03164 4/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
MAPT P10636 4/20 0.42
RAB9A P51151 1/20 0.42
MAPK1 P28482 3/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
TSHR P16473 2/20 0.41
USP2 O75604 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PANK3 Q9H999 1/20 0.41
P2RY12 Q9H244 2/20 0.41
HCAR2 Q8TDS4 2/20 0.40
MEN1 O00255 2/20 0.40
HTR1A P08908 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL6964018 0.90 KMT2A (0.47) RBP4KMT2AL3MBTL1MAPTRAB9A
SCHEMBL8705064 0.88 HTR1A (0.52) RBP4KMT2AMAPTRAB9AMAPK1
SCHEMBL8700940 0.87 RBP4 (0.61) RBP4KMT2AMAPTRAB9AMAPK1
SCHEMBL8705983 0.87 MAPT (0.57) RBP4KMT2AL3MBTL1MAPTRAB9A
SCHEMBL8699470 0.87 KMT2A (0.51) RBP4KMT2AL3MBTL1MAPTRAB9A
SCHEMBL8704966 0.86 RBP4 (0.48) RBP4KMT2AL3MBTL1MAPTRAB9A
SCHEMBL8702290 0.86 RBP4 (0.48) RBP4KMT2AL3MBTL1MAPTRAB9A
SCHEMBL8704636 0.86 KMT2A (0.57) RBP4KMT2AL3MBTL1MAPTKDM4E
SCHEMBL8699044 0.85 KDM4E (0.51) RBP4KMT2AMAPTRAB9AMAPK1
SCHEMBL8699852 0.84 RBP4 (0.46) RBP4KMT2AL3MBTL1MAPTRAB9A

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-0850222-B1 PIPERAZINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF SAMJIN PHARM CO LTD (KR) 2003-05-28 EP disclosed
US-6028195-A AN ANTITUMOR AGENT WITH VERY LOW TOXICITIES SAMJIN PHARMACEUTICAL CO., LTD. (KR) 2000-02-22 US disclosed