SCHEMBL9025919

SCHEMBL9025919

C[C@H]1C(=O)N[C@@H](Cc2cn(C(=O)OCc3ccccc3)c3ccccc23)C(=O)N1OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 1/20 0.43
TACR1 P25103 3/20 0.42
KDM1A O60341 1/20 0.38
MAOA P21397 1/20 0.38
RCOR1 Q9UKL0 1/20 0.38
HTR2C P28335 1/20 0.37
TACR2 P21452 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 1/20 0.34
RECQL P46063 1/20 0.34
KMT2A Q03164 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34

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
SCHEMBL9027493 1.00 TACR3 (0.43) TACR3TACR1KDM1AMAOARCOR1
SCHEMBL9026296 0.87 TACR3 (0.42) TACR3TACR1KDM1AMAOARCOR1
SCHEMBL9026652 0.81 TACR3 (0.47) TACR3TACR1KDM1AMAOARCOR1
SCHEMBL9026879 0.76 KMT2A (0.57) TACR2L3MBTL1MEN1KMT2A
SCHEMBL9026715 0.76 KMT2A (0.57) TACR2L3MBTL1MEN1KMT2A
SCHEMBL16399234 0.73 TACR3 (0.53) TACR3KDM1AMAOARCOR1HTR2C
SCHEMBL16398195 0.72 L3MBTL1 (0.49) TACR3KDM1AMAOARCOR1HTR2C
SCHEMBL9116988 0.71 TACR3 (0.49) TACR3KDM1AMAOARCOR1L3MBTL1
SCHEMBL12359746 0.71 L3MBTL1 (0.51) TACR3TACR1KDM1AMAOARCOR1
SCHEMBL2253248 0.71 TACR3 (0.51) TACR3KDM1AMAOARCOR1L3MBTL1

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-0411150-B1 INDOLE DERIVATIVES, PREPARATION THEREOF, AND DRUG FOR PREVENTING AND TREATING NEPHRITIS CONTAINING SAME OTSUKA PHARMA CO LTD (JP) 1996-11-27 EP disclosed
US-5238938-A Nephrosis OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-08-24 US disclosed