SCHEMBL6423315

SCHEMBL6423315

O=C(c1cc2c(s1)CCNC2)N1CCOCC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 1/20 0.61
TPSD1 Q9BZJ3 1/20 0.61
TPSG1 Q9NRR2 1/20 0.61
PNMT P11086 3/20 0.58
F10 P00742 2/20 0.53
HPGD P15428 2/20 0.50
ALDH1A1 P00352 6/20 0.48
USP2 O75604 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
POLB P06746 1/20 0.45
NR4A1 P22736 1/20 0.45
RECQL P46063 1/20 0.45
BLM P54132 1/20 0.45
ESR2 Q92731 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43

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
SCHEMBL3723812 0.76 CYP3A4 (0.55) TPSAB1TPSD1TPSG1PNMTF10
SCHEMBL977949 0.75 PNMT (0.73) TPSAB1TPSD1TPSG1PNMTF10
Hydrochloric Acid SCHEMBL3088740 0.75 CYP3A4 (0.54) TPSAB1TPSD1TPSG1PNMTF10
SCHEMBL4437356 0.75 F10 (0.53) F10HPGDALDH1A1L3MBTL1KMT2A
SCHEMBL19086247 0.74 L3MBTL1 (0.48) TPSAB1TPSD1TPSG1HPGDALDH1A1
SCHEMBL6421837 0.74 PNMT (1.00) TPSAB1TPSD1TPSG1PNMTF10
Hydrochloric Acid SCHEMBL3441470 0.74 PNMT (0.71) TPSAB1TPSD1TPSG1PNMTF10
SCHEMBL2370161 0.73 PNMT (0.53) TPSAB1TPSD1TPSG1PNMT
SCHEMBL1075956 0.72 PKM (0.52) F10HPGDL3MBTL1KMT2APOLB
SCHEMBL28533972 0.71 PNMT (0.70) TPSAB1TPSD1TPSG1PNMTHPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1057814-B1 TETRAHYDROBENZINDOLE DERIVATIVES MEIJI SEIKA KAISHA (JP) 2005-03-09 EP disclosed
US-6498251-B1 Tetrahydrobenzindole derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2002-12-24 US disclosed
EP-1057814-A1 TETRAHYDROBENZINDOLE DERIVATIVES Meiji Seika Kaisha, Ltd. (JP) 2000-12-06 EP disclosed