SCHEMBL7967754

SCHEMBL7967754

N[C@@H](CO)Cc1cccc(F)c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC1A1 P43005 2/20 0.55
DPP4 P27487 2/20 0.49
DPP7 Q9UHL4 2/20 0.49
TAAR1 Q96RJ0 2/20 0.48
IDO1 P14902 2/20 0.47
AGXT P21549 2/20 0.47
EPHX1 P07099 1/20 0.47
PIN1 Q13526 1/20 0.44
FAP Q12884 1/20 0.43
DPP8 Q6V1X1 1/20 0.43
DPP9 Q86TI2 1/20 0.43
PPARG P37231 2/20 0.43
PPARA Q07869 2/20 0.43
ROCK1 Q13464 1/20 0.43
ANPEP P15144 2/20 0.41
ENPEP Q07075 1/20 0.41

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
SCHEMBL5230103 1.00 SLC1A1 (0.55) SLC1A1DPP4DPP7TAAR1IDO1
SCHEMBL5230112 1.00 SLC1A1 (0.55) SLC1A1DPP4DPP7TAAR1IDO1
SCHEMBL4076385 0.85 EPHX1 (0.52) SLC1A1DPP4DPP7TAAR1IDO1
SCHEMBL4332275 0.84 SLC1A1 (0.48) SLC1A1DPP4DPP7TAAR1IDO1
SCHEMBL7458228 0.83 TAAR1 (0.55) SLC1A1DPP4DPP7TAAR1IDO1
Hydrochloric Acid SCHEMBL4326709 0.82 SLC1A1 (0.47) SLC1A1DPP4DPP7TAAR1IDO1
SCHEMBL21417631 0.81 SLC1A1 (0.51) SLC1A1DPP4DPP7TAAR1IDO1
SCHEMBL5058348 0.80 PCNA (0.41) SLC1A1DPP4DPP7IDO1EPHX1
SCHEMBL8268878 0.80 PCNA (0.41) SLC1A1DPP4DPP7IDO1EPHX1
SCHEMBL3130819 0.80 SLC1A1 (0.50) SLC1A1DPP4DPP7TAAR1IDO1

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
US-6274715-B1 SEMISYNTHETIC MACROLIDES, USEFUL IN BACTERIAL INFECTIONS TREATMENT AND PREVENTION, HAS LESS POTENTIAL FOR DEVELOPING RESISTANCE, IMPROVED OR MODIFIED PROFILES OF DESIRED GRAM-NEGATIVE ACTIVITY ABBOTT LABORATORIES 2001-08-14 US disclosed
CN-1244202-A Tricyclic erythromycin derivatives ABBOTT LAB (US) 2000-02-09 CN disclosed