SCHEMBL7139727

SCHEMBL7139727

COc1nc2ccccc2cc1NC(=O)N1CCN(c2ccccc2SC)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 3/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTT P42858 1/20 0.46
FAAH O00519 3/20 0.46
TRPV1 Q8NER1 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 2/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPK1 P28482 1/20 0.42
HCAR2 Q8TDS4 2/20 0.42
RAB9A P51151 1/20 0.42
GAA P10253 2/20 0.42
HTR1A P08908 1/20 0.42
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR7 P34969 1/20 0.42

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
SCHEMBL6966945 0.87 MAPT (0.57) RBP4HTTFAAHMAPTKDM4E
SCHEMBL6962593 0.87 RBP4 (0.61) RBP4KMT2AFAAHTRPV1MAPT
SCHEMBL6963644 0.87 KMT2A (0.48) RBP4KMT2AMEN1CYP2C19HTT
SCHEMBL6966961 0.86 RBP4 (0.46) RBP4KMT2AMEN1CYP2C19HTT
SCHEMBL6967897 0.86 KMT2A (0.49) RBP4KMT2AMEN1FAAHTRPV1
SCHEMBL6966427 0.86 KMT2A (0.60) RBP4KMT2AMEN1FAAHTRPV1
SCHEMBL6560837 0.85 KMT2A (0.46) RBP4KMT2AMEN1CYP2C19HTT
SCHEMBL6965818 0.84 MAPT (0.58) RBP4KMT2AMEN1FAAHTRPV1
SCHEMBL6954289 0.84 RBP4 (0.46) RBP4KMT2AMEN1CYP2C19HTT
SCHEMBL6960617 0.82 KMT2A (0.53) RBP4KMT2AHTTFAAHL3MBTL1

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