SCHEMBL6422583

SCHEMBL6422583

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

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TSPO P30536 7/20 0.35
▸ S1PR2 O95136 1/20 0.34
▸ HTR7 P34969 1/20 0.33
▸ TBXA2R P21731 2/20 0.33
▸ PTGDR Q13258 2/20 0.33
▸ PTGDR2 Q9Y5Y4 2/20 0.33
▸ ABCB1 P08183 1/20 0.33
▸ ABCG2 Q9UNQ0 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ CASP7 P55210 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ HTR3A P46098 1/20 0.33
▸ IDO1 P14902 1/20 0.32
▸ GRIN1 Q05586 1/20 0.32
▸ GRIN2B Q13224 1/20 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 0.89 PTGDR2 (0.35) TBXA2RPTGDRPTGDR2ABCB1ABCG2
SCHEMBL6425713 0.88 IDO1 (0.41) TBXA2RPTGDRPTGDR2ABCB1ABCG2
SCHEMBL6421108 0.87 KMT2A (0.40) KDM4EMEN1KMT2AHSD17B10
SCHEMBL6422708 0.86 OPRL1 (0.36) S1PR2HTR7PTGDR2IDO1
SCHEMBL6423030 0.83 TBXA2R (0.44) TBXA2RPTGDRKDM4E
SCHEMBL6421096 0.82 HTR3A (0.35) TBXA2RPTGDRABCB1ABCG2KDM4E
SCHEMBL6422093 0.82 PTGS2 (0.36) TBXA2RPTGDRABCB1ABCG2KDM4E
SCHEMBL6421114 0.80 TP53 (0.40) KDM4EMEN1GLAKMT2AHSD17B10
SCHEMBL6421280 0.79 P2RX4 (0.44) TSPOPTGDR2ABCB1ABCG2KDM4E
SCHEMBL6422817 0.79 HTR3A (0.34) MEN1KMT2AHSD17B10HTR3AIDO1

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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