SCHEMBL29961410

SCHEMBL29961410

COc1ccc(N)c(NCCNC(=O)C2CCC2)c1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 14/20 0.53
▸ MTNR1B P49286 13/20 0.53
▸ NQO2 P16083 1/20 0.53
▸ ALDH1A1 P00352 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47

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
SCHEMBL21315681 1.00 MTNR1A (0.53) MTNR1AMTNR1BNQO2ALDH1A1KDM4E
SCHEMBL21315647 0.98 MTNR1A (0.53) MTNR1AMTNR1BNQO2ALDH1A1KDM4E
SCHEMBL21315683 0.96 MTNR1A (0.53) MTNR1AMTNR1BNQO2ALDH1A1KDM4E
SCHEMBL21315645 0.95 MTNR1A (0.54) MTNR1AMTNR1BALDH1A1KDM4EHSD17B10
SCHEMBL21315660 0.82 MAPT (0.52) MTNR1AMTNR1BNQO2ALDH1A1
SCHEMBL21315658 0.81 MTNR1A (0.58) MTNR1AMTNR1B
SCHEMBL21315673 0.80 MAPT (0.53) MTNR1AMTNR1BNQO2ALDH1A1KDM4E
SCHEMBL29961819 0.80 MAPT (0.53) MTNR1AMTNR1BNQO2ALDH1A1KDM4E
SCHEMBL21315684 0.79 MAPT (0.54) MTNR1AMTNR1BNQO2ALDH1A1KDM4E
SCHEMBL29961789 0.79 MAPT (0.54) MTNR1AMTNR1BNQO2ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115181108-A Compound and preparation method, pharmaceutical composition and application thereof 艾奇实验室制药有限公司 2022-10-14 — — CN disclosed
CN-110088092-B Compounds, processes for their preparation, pharmaceutical compositions, uses of compounds and methods for treating psychiatric and/or sleep disorders 艾奇实验室制药有限公司 2022-10-04 — — CN disclosed
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