SCHEMBL6965639

SCHEMBL6965639

COc1cc(C)c(C)cc1NC(=O)N1CCN(c2cccc3cc4ccccc4cc23)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 3/20 0.55
MAPT P10636 5/20 0.53
RAB9A P51151 1/20 0.53
HTR1A P08908 4/20 0.50
HTR1D P28221 4/20 0.50
HTR1B P28222 4/20 0.50
GAA P10253 2/20 0.50
MAPK1 P28482 2/20 0.50
LMNA P02545 2/20 0.50
TSHR P16473 2/20 0.50
ALDH1A1 P00352 1/20 0.50
KMT2A Q03164 1/20 0.48
MTNR1B P49286 1/20 0.48
KDM4E B2RXH2 2/20 0.48
USP2 O75604 1/20 0.48
TP53 P04637 1/20 0.48
POLB P06746 1/20 0.48
ALOX15 P16050 1/20 0.48
HSD17B10 Q99714 1/20 0.48
HTR2A P28223 1/20 0.48

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
SCHEMBL6965687 0.92 RBP4 (0.57) RBP4MAPTRAB9AHTR1AHTR1D
SCHEMBL6960558 0.86 MAPT (0.67) RBP4MAPTRAB9AHTR1AHTR1D
SCHEMBL8699977 0.85 MAPT (0.48) RBP4MAPTRAB9AHTR1AHTR1D
SCHEMBL6967002 0.84 RBP4 (0.76) RBP4MAPTRAB9AHTR1AHTR1D
SCHEMBL6965400 0.84 RBP4 (0.60) RBP4MAPTRAB9AHTR1AHTR1D
SCHEMBL6960101 0.82 MAPT (0.59) RBP4MAPTRAB9AHTR1AHTR1D
SCHEMBL6962308 0.80 RBP4 (0.56) RBP4MAPTRAB9AHTR1AHTR1D
SCHEMBL6960722 0.80 RBP4 (0.71) RBP4MAPTRAB9AHTR1AHTR1D
SCHEMBL6959675 0.80 THRB (0.53) RBP4MAPTRAB9AHTR1AHTR1D
SCHEMBL6960069 0.79 KMT2A (0.61) MAPK1LMNAALDH1A1KMT2AKDM4E

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