SCHEMBL6965400

SCHEMBL6965400

COc1cc(C)c(C)cc1NC(=O)N1CCN(c2ccccc2O)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 3/20 0.60
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
MAPT P10636 3/20 0.55
RAB9A P51151 1/20 0.55
HTR1A P08908 5/20 0.54
HTR1D P28221 5/20 0.54
HTR1B P28222 5/20 0.54
MAPK1 P28482 2/20 0.52
PKM P14618 1/20 0.52
HTR2C P28335 3/20 0.52
HTR6 P50406 3/20 0.52
GAA P10253 2/20 0.52
HTR2A P28223 2/20 0.52
HTR7 P34969 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
PANK3 Q9H999 1/20 0.51
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51

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
SCHEMBL6960558 0.91 MAPT (0.67) RBP4MEN1KMT2AMAPTRAB9A
SCHEMBL6967002 0.89 RBP4 (0.76) RBP4KMT2AMAPTRAB9AHTR1A
SCHEMBL6960101 0.87 MAPT (0.59) RBP4MAPTRAB9AHTR1AHTR1D
SCHEMBL6965687 0.86 RBP4 (0.57) RBP4KMT2AMAPTRAB9AHTR1A
SCHEMBL6962308 0.85 RBP4 (0.56) RBP4MEN1KMT2AMAPTRAB9A
SCHEMBL6960722 0.85 RBP4 (0.71) RBP4MEN1KMT2AMAPTRAB9A
SCHEMBL6965639 0.84 RBP4 (0.55) RBP4KMT2AMAPTRAB9AHTR1A
SCHEMBL6961204 0.83 HTR1A (0.62) RBP4MAPTRAB9AHTR1AHTR1D
SCHEMBL3442215 0.83 HTR1A (0.61) RBP4MEN1KMT2AMAPTRAB9A
SCHEMBL6959675 0.82 THRB (0.53) RBP4KMT2AMAPTRAB9AHTR1A

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