SCHEMBL6961780

SCHEMBL6961780

COc1cc(C)c(C)cc1NC(=O)N1CCN(c2c(C)c(C)cc(C)c2C)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 4/20 0.48
POLB P06746 3/20 0.47
MAPT P10636 3/20 0.46
P2RX7 Q99572 1/20 0.45
KDM4E B2RXH2 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
MAPK1 P28482 2/20 0.44
PKM P14618 1/20 0.44
ALDH1A1 P00352 3/20 0.44
TSHR P16473 3/20 0.44
USP2 O75604 2/20 0.44
HSD17B10 Q99714 2/20 0.44
RAB9A P51151 1/20 0.43
HTR1A P08908 2/20 0.43
HTR1D P28221 2/20 0.43
HTR1B P28222 2/20 0.43
LMNA P02545 2/20 0.43
THRB P10828 1/20 0.43
TP53 P04637 1/20 0.43
ALOX15 P16050 1/20 0.43

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
SCHEMBL6960605 0.82 RBP4 (0.54) RBP4POLBMAPTKDM4ETDP1
SCHEMBL6960722 0.81 RBP4 (0.71) RBP4POLBMAPTKDM4ETDP1
SCHEMBL6966493 0.81 RBP4 (0.56) RBP4POLBMAPTKDM4ETDP1
SCHEMBL6968075 0.81 ALDH1A1 (0.40) RBP4MAPTP2RX7KDM4ETDP1
SCHEMBL6966587 0.81 RBP4 (0.52) RBP4POLBMAPTKDM4ETDP1
SCHEMBL6960558 0.81 MAPT (0.67) RBP4MAPTKDM4ETDP1MAPK1
SCHEMBL6961204 0.80 HTR1A (0.62) RBP4MAPTRAB9AHTR1AHTR1D
SCHEMBL6960101 0.79 MAPT (0.59) RBP4MAPTKDM4ETDP1MAPK1
SCHEMBL6965400 0.79 RBP4 (0.60) RBP4MAPTKDM4ETDP1MAPK1
SCHEMBL6967002 0.79 RBP4 (0.76) RBP4POLBMAPTKDM4EMAPK1

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