SCHEMBL6960045

SCHEMBL6960045

COc1ccccc1N1CCN(C(=O)Nc2cc(C(C)=O)c(C)nc2OC)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.57
RAB9A P51151 1/20 0.57
HTR1A P08908 3/20 0.53
HTR1D P28221 3/20 0.53
HTR1B P28222 3/20 0.53
GAA P10253 1/20 0.53
HTR2A P28223 1/20 0.53
HTR2C P28335 1/20 0.53
HTR7 P34969 1/20 0.53
HTR6 P50406 1/20 0.53
RBP4 P02753 1/20 0.51
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 2/20 0.48
HTT P42858 2/20 0.48
USP2 O75604 1/20 0.48
TSHR P16473 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
SCHEMBL6966645 0.89 MAPT (0.60) MAPTRAB9AHTR1AHTR1DHTR1B
SCHEMBL6960630 0.87 LMNA (0.57) MAPTRAB9AHTR1AHTR1DHTR1B
SCHEMBL8705983 0.86 MAPT (0.57) MAPTRAB9AHTR1AHTR1DHTR1B
SCHEMBL8699457 0.85 MAPT (0.56) MAPTRAB9AHTR1AHTR1DHTR1B
SCHEMBL6955171 0.85 MAPT (0.56) MAPTRAB9AHTR1AHTR1DHTR1B
SCHEMBL6963593 0.84 MAPT (0.54) MAPTRAB9AHTR1AHTR1DHTR1B
SCHEMBL6966945 0.83 MAPT (0.57) MAPTRAB9AHTR1AHTR1DHTR1B
SCHEMBL6965181 0.83 MAPT (0.47) MAPTGAARBP4CA12CA1
SCHEMBL6653379 0.83 PHGDH (0.57) MAPTRAB9AGAAKDM4EALDH1A1
SCHEMBL6960822 0.82 KMT2A (0.42) MAPTGAARBP4CA12CA1

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