SCHEMBL11243877

SCHEMBL11243877

COc1ccccc1COC(C)N

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.61
TAAR1 Q96RJ0 1/20 0.52
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
ABCB1 P08183 1/20 0.46
AOC3 Q16853 1/20 0.46
CHRM2 P08172 1/20 0.46
CHRM1 P11229 1/20 0.46
KMT2A Q03164 2/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
CA14 Q9ULX7 2/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL12936623 0.85 IDO1 (0.60) IDO1TAAR1ALDH1A1GAAMAPT
SCHEMBL14655700 0.77 KMT2A (0.64) IDO1TAAR1KMT2A
SCHEMBL266563 0.77 KMT2A (0.64) IDO1TAAR1KMT2A
SCHEMBL30249073 0.77 KMT2A (0.64) IDO1TAAR1KMT2A
SCHEMBL11236282 0.76 IDO1 (0.55) IDO1TAAR1ALDH1A1GAAMAPT
SCHEMBL11230270 0.76 IDO1 (0.55) IDO1TAAR1ALDH1A1GAAMAPT
SCHEMBL1520836 0.76 IDO1 (1.00) IDO1TAAR1ALDH1A1GAAMAPT
SCHEMBL26654 0.76 IDO1 (0.69) IDO1TAAR1ALDH1A1GAAMAPT
SCHEMBL31290863 0.76 IDO1 (0.69) IDO1TAAR1ALDH1A1GAAMAPT
SCHEMBL10607688 0.76 IDO1 (0.69) IDO1TAAR1ALDH1A1GAAMAPT

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-4322342-A Analgesic compounds ELI LILLY AND COMPANY (US) 1982-03-30 US disclosed
US-4259234-A OLIGOPEPTIDES FOR PARENTERAL ADMINISTRATION ELI LILLY AND COMPANY (US) 1981-03-31 US disclosed