SCHEMBL11767375

SCHEMBL11767375

CC1C(c2ccccc2)OCCN1C(=O)[C@@H](N)CC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 1/20 0.48
▸ DPP4 P27487 11/20 0.40
▸ TACR1 P25103 1/20 0.39
▸ SLC6A2 P23975 1/20 0.37
▸ ADRA1A P35348 1/20 0.37
▸ HTR2B P41595 1/20 0.37
▸ SLC6A3 Q01959 1/20 0.37
▸ DPP8 Q6V1X1 10/20 0.36
▸ DPP7 Q9UHL4 4/20 0.36
▸ DPP9 Q86TI2 2/20 0.36
▸ FAP Q12884 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ SMN1; SMN2 Q16637 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
SCHEMBL7977029 0.79 HTR1A (0.58) HTR1ASLC6A2ADRA1AHTR2BSLC6A3
SCHEMBL7977026 0.76 HTR1A (0.58) HTR1ASLC6A2ADRA1AHTR2BSLC6A3
Phendimetrazine SCHEMBL2325477 0.73 HTR1A (0.75) HTR1ASLC6A2ADRA1AHTR2BSLC6A3
Phendimetrazine SCHEMBL2329562 0.69 HTR1A (0.59) HTR1ADPP4SLC6A2ADRA1AHTR2B
Phendimetrazine SCHEMBL160376 0.68 HTR1A (0.75) HTR1ASLC6A2ADRA1AHTR2BSLC6A3
Phendimetrazine SCHEMBL29353044 0.68 HTR1A (0.75) HTR1ASLC6A2ADRA1AHTR2BSLC6A3
Phendimetrazine SCHEMBL29554688 0.68 HTR1A (0.75) HTR1ASLC6A2ADRA1AHTR2BSLC6A3
Phendimetrazine SCHEMBL160375 0.68 HTR1A (0.75) HTR1ASLC6A2ADRA1AHTR2BSLC6A3
Phendimetrazine SCHEMBL15064941 0.68 HTR1A (0.75) HTR1ASLC6A2ADRA1AHTR2BSLC6A3
Phendimetrazine SCHEMBL10613088 0.67 HTR1A (0.73) HTR1ASLC6A2ADRA1AHTR2BSLC6A3

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
US-RE29324-E N-Substituted aspartyl peptide amides G. D. SEARLE & CO. (US) 1977-07-26 — — US disclosed
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