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Sugi Predict / Compounds / Luzindole

Luzindole

Luzindole

SCHEMBL9751604

CC(=O)NCCc1c(Cc2ccccc2)[nH]c2ccc(Br)cc12.CC(=O)NCCc1c(Cc2ccccc2)[nH]c2ccc(O)cc12.CC(=O)NCCc1c(Cc2ccccc2)[nH]c2ccccc12.CC(=O)NCCc1c(Cc2ccccc2C)[nH]c2ccccc12.CC(=O)NCCc1c(Cc2ccccc2Cl)[nH]c2ccccc12.COc1ccc2[nH]c(Cc3ccccc3)c(CCNC(C)=O)c2c1

nearest known ligand 0.64

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Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 18/20 0.64
▸ MTNR1B P49286 18/20 0.64
▸ HPGD P15428 3/20 0.53
▸ CYP1A2 P05177 2/20 0.53
▸ CYP3A4 P08684 2/20 0.53
▸ CYP2C9 P11712 2/20 0.53
▸ CYP2C19 P33261 2/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ KDM4E B2RXH2 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ HSD17B10 Q99714 2/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ NQO2 P16083 1/20 0.47
▸ POLB P06746 1/20 0.45
▸ MDM2 Q00987 1/20 0.45

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
SCHEMBL9304037 0.80 MTNR1A (1.00) MTNR1AMTNR1BHPGDCYP1A2CYP3A4
SCHEMBL9304093 0.78 MTNR1A (0.75) MTNR1AMTNR1BHPGDCYP1A2CYP3A4
SCHEMBL9302251 0.77 MTNR1A (0.77) MTNR1AMTNR1BHPGDCYP1A2CYP3A4
SCHEMBL9303906 0.76 MTNR1A (0.71) MTNR1AMTNR1BHPGDCYP1A2CYP3A4
SCHEMBL9303475 0.75 MTNR1A (0.72) MTNR1AMTNR1BHPGDCYP1A2CYP3A4
SCHEMBL29138500 0.74 MTNR1A (0.88) MTNR1AMTNR1BHPGDCYP1A2CYP3A4
SCHEMBL30669508 0.74 MTNR1A (0.88) MTNR1AMTNR1BHPGDCYP1A2CYP3A4
SCHEMBL9751553 0.74 MTNR1A (0.79) MTNR1AMTNR1BHPGDCYP1A2CYP3A4
Luzindole SCHEMBL4869000 0.73 MTNR1A (1.00) MTNR1AMTNR1BHPGDCYP1A2CYP3A4
SCHEMBL13436428 0.70 MTNR1A (0.78) MTNR1AMTNR1BHPGDCYP1A2CYP3A4

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-0375726-A4 MELATONIN ANALOGUES — 1991-01-30 — — EP disclosed
EP-0375726-A1 MELATONIN ANALOGUES Whitby Research Incorporated (US) 1990-07-04 — — EP disclosed
WO-1989001472-A1 MELATONIN ANALOGUES NELSON RESEARCH & DEVELOPMENT CO. (US) 1989-02-23 — — WO disclosed