SCHEMBL6960558

SCHEMBL6960558

COc1cc(C)c(C)cc1NC(=O)N1CCN(c2ccccc2OC)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.67
RAB9A P51151 1/20 0.67
HTR1A P08908 3/20 0.62
HTR1D P28221 3/20 0.62
HTR1B P28222 3/20 0.62
RBP4 P02753 3/20 0.62
GAA P10253 1/20 0.62
HTR2A P28223 1/20 0.62
HTR2C P28335 1/20 0.62
HTR7 P34969 1/20 0.62
HTR6 P50406 1/20 0.62
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA9 Q16790 1/20 0.58
LMNA P02545 3/20 0.57
HTT P42858 1/20 0.57
KDM4E B2RXH2 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
PKM P14618 2/20 0.54

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
SCHEMBL6960101 0.93 MAPT (0.59) MAPTRAB9AHTR1AHTR1DHTR1B
SCHEMBL6967002 0.91 RBP4 (0.76) MAPTRAB9AHTR1AHTR1DHTR1B
SCHEMBL6965400 0.91 RBP4 (0.60) MAPTRAB9AHTR1AHTR1DHTR1B
SCHEMBL6965687 0.88 RBP4 (0.57) MAPTRAB9AHTR1AHTR1DHTR1B
SCHEMBL6961204 0.87 HTR1A (0.62) MAPTRAB9AHTR1AHTR1DHTR1B
SCHEMBL6962308 0.87 RBP4 (0.56) MAPTRAB9AHTR1AHTR1DHTR1B
SCHEMBL3442215 0.87 HTR1A (0.61) MAPTRAB9AHTR1AHTR1DHTR1B
SCHEMBL6960722 0.87 RBP4 (0.71) MAPTRAB9AHTR1AHTR1DHTR1B
SCHEMBL6965639 0.86 RBP4 (0.55) MAPTRAB9AHTR1AHTR1DHTR1B
SCHEMBL6966867 0.86 KMT2A (0.67) MAPTGAALMNAKDM4EALDH1A1

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 4 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
EP-0850222-A1 PIPERAZINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF Samjin Pharmaceutical Co., Ltd. (KR) 1998-07-01 EP disclosed
WO-1998000402-A1 PIPERAZINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF SAMJIN PHARMACEUTICAL CO., LTD. (KR) 1998-01-08 WO disclosed