SCHEMBL7597874

SCHEMBL7597874

CC(c1ccccc1)N(C(=O)C(c1ccccc1)c1ccccc1)C(CCCN)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.42
▸ HRH1 P35367 1/20 0.42
▸ ALOX5 P09917 1/20 0.41
▸ TRPM8 Q7Z2W7 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ MTOR P42345 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.37
▸ OPRM1 P35372 1/20 0.36
▸ OPRD1 P41143 1/20 0.36
▸ OPRK1 P41145 1/20 0.36
▸ GRM2 Q14416 1/20 0.36
▸ GRM3 Q14832 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ CRHBP P24387 1/20 0.36
▸ CRHR2 Q13324 1/20 0.36
▸ MAPT P10636 1/20 0.35

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
SCHEMBL7600674 0.91 TRPM8 (0.46) HTR2AHRH1ALOX5TRPM8KDM4E
Hydrochloric Acid SCHEMBL7594995 0.90 TRPM8 (0.45) HTR2AHRH1ALOX5TRPM8KDM4E
SCHEMBL7596331 0.85 TRPM8 (0.41) HTR2AHRH1ALOX5TRPM8KDM4E
Hydrochloric Acid SCHEMBL7600878 0.84 TRPM8 (0.41) HTR2AHRH1ALOX5TRPM8
Hydrochloric Acid SCHEMBL7600663 0.84 TRPM8 (0.41) HTR2AHRH1ALOX5TRPM8MAPT
SCHEMBL7596315 0.84 MEN1 (0.42) HTR2AHRH1ALOX5TRPM8MEN1
SCHEMBL7600460 0.84 MEN1 (0.42) HTR2AHRH1ALOX5TRPM8MEN1
Hydrochloric Acid SCHEMBL7600447 0.82 ALOX5 (0.42) ALOX5TRPM8
SCHEMBL7597931 0.82 ALDH1A1 (0.44) ALOX5TRPM8GAAKMT2A
SCHEMBL7595296 0.82 ALDH1A1 (0.44) ALOX5TRPM8GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1017672-B1 NEW NPY ANTAGONISTS ASTRAZENECA AB (SE) 2002-11-27 — — EP disclosed
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