SCHEMBL2823989

SCHEMBL2823989

O=C1CCCC(=O)N1CCc1c[nH]c2ccc(OCc3ccccc3)cc12

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TRPM8 Q7Z2W7 3/20 0.62
▸ KDM4E B2RXH2 1/20 0.62
▸ MAPT P10636 1/20 0.62
▸ LTA4H P09960 7/20 0.61
▸ PLA2G2A P14555 7/20 0.61
▸ HTR1D P28221 6/20 0.59
▸ SLC6A4 P31645 1/20 0.57
▸ POLB P06746 1/20 0.56
▸ HTR1A P08908 3/20 0.54
▸ HTR1B P28222 3/20 0.54
▸ MEN1 O00255 1/20 0.53
▸ HSP90AA1 P07900 1/20 0.53
▸ HSP90AB1 P08238 1/20 0.53
▸ KMT2A Q03164 1/20 0.53

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
SCHEMBL2536283 0.85 GAA (0.67) TRPM8KDM4EMAPTLTA4HPLA2G2A
SCHEMBL31660992 0.85 GAA (0.67) TRPM8KDM4EMAPTLTA4HPLA2G2A
SCHEMBL32669329 0.83 TRPM8 (0.67) TRPM8KDM4EMAPTLTA4HPLA2G2A
SCHEMBL6948769 0.82 HTR2A (0.67) TRPM8MAPTHTR1DHTR1AHTR1B
SCHEMBL17525726 0.79 GAA (0.66) KDM4EMAPTHTR1DSLC6A4HTR1A
SCHEMBL2825796 0.78 RAB9A (0.70) KDM4EMAPTHTR1DHTR1AHTR1B
SCHEMBL6988545 0.77 HTR1D (0.78) TRPM8KDM4EMAPTLTA4HPLA2G2A
SCHEMBL6388022 0.77 POLB (0.78) TRPM8KDM4EMAPTLTA4HPLA2G2A
5-Benzyloxytryptamine SCHEMBL29785061 0.77 TRPM8 (1.00) TRPM8KDM4EMAPTLTA4HPLA2G2A
SCHEMBL27406721 0.77 TRPM8 (0.77) TRPM8KDM4EMAPTLTA4HPLA2G2A

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
EP-1020179-B9 PEPTIDE DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, METHOD FOR PRODUCING THE SAME, USE OF SAID DERIVATIVES AND PHARMACEUTICAL COMPOSITION OTKRYTOE AKTSIONERNOE OBSCHESTVO OTECHESTVENNYE LEKARSTVA (RU) 2011-02-02 — — EP disclosed
EP-1020179-B1 PEPTIDE DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, METHOD FOR PRODUCING THE SAME, USE OF SAID DERIVATIVES AND PHARMACEUTICAL COMPOSITION OTKRYTOE AKTSIONERNOE OBSCHEST (RU) 2009-12-09 — — EP disclosed
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