SCHEMBL7242001

SCHEMBL7242001

CCN(C)C(=N)Nc1cccc(CN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.38
REN P00797 1/20 0.36
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
MAPK1 P28482 1/20 0.33
LMNA P02545 3/20 0.32
MAPT P10636 2/20 0.32
HTR2C P28335 1/20 0.32
SLC6A4 P31645 1/20 0.32
MAPK14 Q16539 1/20 0.32
PDK1 Q15118 2/20 0.32
PDK2 Q15119 2/20 0.32
PDK3 Q15120 2/20 0.32
PDK4 Q16654 2/20 0.32
POLB P06746 1/20 0.32
CTSL P07711 1/20 0.31
CTSB P07858 1/20 0.31
CTSS P25774 1/20 0.31
F10 P00742 1/20 0.31
CPB2 Q96IY4 1/20 0.31

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
SCHEMBL6677280 0.88 LMNA (0.34) MEN1KMT2ALMNAHTR2CSLC6A4
SCHEMBL6675968 0.83 GPR35 (0.39) GPR35RENMEN1KMT2AMAPK1
SCHEMBL6676278 0.81 REN (0.37) GPR35RENMEN1KMT2AMAPK1
SCHEMBL6678098 0.80 GPR35 (0.39) GPR35RENMEN1KMT2AMAPK1
SCHEMBL6675971 0.79 CACNA1C (0.43) GPR35RENMEN1KMT2AMAPK1
SCHEMBL7242006 0.77 GPR35 (0.38) GPR35RENMEN1KMT2AMAPK1
SCHEMBL6675210 0.77 PNMT (0.39) GPR35MEN1KMT2ALMNAMAPT
SCHEMBL6674963 0.77 GLS (0.40) KMT2ALMNAHTR2CSLC6A4PDK1
Hydrochloric Acid SCHEMBL6684651 0.76 PNMT (0.38) GPR35MEN1KMT2ALMNAMAPT
SCHEMBL6678068 0.72 REN (0.36) RENHTR2CSLC6A4CPB2

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
US-6534546-B1 Guanidine- or isothioureido-N-derived anilines; brain, nervous system, and neurodegenerative disorders CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-03-18 US disclosed
EP-0798292-A1 ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY Chugai Seiyaku Kabushiki Kaisha (JP) 1997-10-01 EP disclosed