SCHEMBL6425713

SCHEMBL6425713

NC(=O)Cn1c2c(c3ccccc31)CCNC2OC(=O)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.41
▸ KDM4E B2RXH2 4/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ GLA P06280 1/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ CASP7 P55210 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ HDAC1 Q13547 2/20 0.34
▸ HDAC6 Q9UBN7 2/20 0.34
▸ PTGDR2 Q9Y5Y4 2/20 0.33
▸ ABCB1 P08183 1/20 0.33
▸ ABCG2 Q9UNQ0 1/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HTR3A P46098 2/20 0.32
▸ TBXA2R P21731 1/20 0.32
▸ PTGDR Q13258 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ CYP3A4 P08684 2/20 0.32

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
SCHEMBL6424061 0.91 PTGDR2 (0.35) IDO1KDM4EMEN1KMT2AGLA
SCHEMBL6421108 0.89 KMT2A (0.40) KDM4EMEN1KMT2AHSD17B10L3MBTL1
SCHEMBL6422583 0.88 TSPO (0.35) IDO1KDM4EMEN1KMT2AGLA
SCHEMBL6422708 0.88 OPRL1 (0.36) IDO1HDAC1HDAC6PTGDR2
SCHEMBL6423030 0.87 TBXA2R (0.44) KDM4EHDAC1HDAC6ALDH1A1TBXA2R
SCHEMBL6421096 0.86 HTR3A (0.35) KDM4EMEN1KMT2AGLACASP1
SCHEMBL6422817 0.84 HTR3A (0.34) IDO1MEN1KMT2AHSD17B10ALDH1A1
SCHEMBL6422093 0.83 PTGS2 (0.36) KDM4EMEN1KMT2AHSD17B10HDAC1
SCHEMBL6421114 0.81 TP53 (0.40) KDM4EMEN1KMT2AGLAHSD17B10
SCHEMBL6422252 0.79 GLA (0.33) KDM4EMEN1KMT2AGLAHSD17B10

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
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