SCHEMBL8485809

SCHEMBL8485809

O=C([C@H]1CCCN1C(=O)OCc1ccccc1)N1CC(c2ccccc2)c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PREP P48147 5/20 0.56
GFER P55789 1/20 0.48
CTRB1 P17538 1/20 0.48
TSHR P16473 2/20 0.48
ALDH1A1 P00352 1/20 0.48
KDM1A O60341 1/20 0.48
RCOR1 Q9UKL0 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
KMT2A Q03164 1/20 0.47
KLK7 P49862 1/20 0.47
KLK5 Q9Y337 1/20 0.47

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
SCHEMBL8485812 1.00 PREP (0.56) PREPGFERCTRB1TSHRALDH1A1
SCHEMBL8479441 0.79 RIPK1 (0.39) TSHRALDH1A1
SCHEMBL28367 0.79 L3MBTL1 (0.67) PREPCTRB1TSHRALDH1A1NPSR1
SCHEMBL2733159 0.79 L3MBTL1 (0.67) PREPCTRB1TSHRALDH1A1NPSR1
SCHEMBL11262909 0.78 PREP (0.69) PREPGFERCTRB1TSHRNPSR1
SCHEMBL11262912 0.78 PREP (0.69) PREPGFERCTRB1TSHRNPSR1
SCHEMBL16750358 0.78 PREP (0.58) PREPCTRB1TSHRALDH1A1NPSR1
SCHEMBL488744 0.77 PREP (0.68) PREPCTRB1TSHRNPSR1L3MBTL1
SCHEMBL6384850 0.77 PREP (0.68) PREPCTRB1TSHRNPSR1L3MBTL1
SCHEMBL18093534 0.77 PREP (0.71) PREPGFERCTRB1TSHRALDH1A1

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-5936098-A Process for producing indoline compounds and intermediates for the production of the same TOKYO TANABE COMPANY LIMITED (JP) 1999-08-10 US disclosed
EP-0810214-A1 PROCESS FOR PRODUCING INDOLINE COMPOUNDS AND INTERMEDIATES FOR THE PRODUCTION OF THE SAME TOKYO TANABE COMPANY LIMITED (JP) 1997-12-03 EP disclosed