SCHEMBL6422708

SCHEMBL6422708

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

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ OPRL1 P41146 10/20 0.36
▸ OPRM1 P35372 8/20 0.36
▸ S1PR2 O95136 1/20 0.35
▸ HDAC6 Q9UBN7 2/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HTR1A P08908 2/20 0.33
▸ HTR7 P34969 2/20 0.33
▸ KRAS P01116 1/20 0.33
▸ IDO1 P14902 2/20 0.33
▸ PTGDR2 Q9Y5Y4 1/20 0.33

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
SCHEMBL6421108 0.89 KMT2A (0.40) —
SCHEMBL6424061 0.89 PTGDR2 (0.35) HDAC6HDAC1IDO1PTGDR2
SCHEMBL6425713 0.88 IDO1 (0.41) HDAC6HDAC1IDO1PTGDR2
SCHEMBL6422583 0.86 TSPO (0.35) S1PR2HTR7IDO1PTGDR2
SCHEMBL6421291 0.83 TP53 (0.32) —
SCHEMBL6423030 0.83 TBXA2R (0.44) OPRM1HDAC6HDAC1HTR1A
SCHEMBL6421096 0.82 HTR3A (0.35) HDAC6HDAC1
SCHEMBL6422093 0.82 PTGS2 (0.36) HDAC6HDAC1
SCHEMBL6422252 0.80 GLA (0.33) —
SCHEMBL6421114 0.80 TP53 (0.40) —

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 5 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
US-6407112-B1 2A,3,4,5-TETRAHYDRO-1H-BENZ(CD)INDOL-2-ONE DERIVATIVES; 5-HYDROXYTRYPTAMINE AGONISTS; SLEEP, CIRCADIAN RHYTHYM, BIPOLAR, AND PSYCHOLOGICAL DISORDER TREATMENT MEIJI SEIKA KAISHA, LTD. (JP) 2002-06-18 — — US disclosed
EP-1081136-A1 OPTICALLY ACTIVE TETRAHYDROBENZINDOLE DERIVATIVES Meiji Seika Kaisha, Ltd. (JP) 2001-03-07 — — EP disclosed
EP-1057814-A1 TETRAHYDROBENZINDOLE DERIVATIVES Meiji Seika Kaisha, Ltd. (JP) 2000-12-06 — — EP disclosed
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