SCHEMBL10563294

SCHEMBL10563294

CC[C@H](N)CCc1ccc(O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 4/20 0.50
▸ ESR2 Q92731 2/20 0.50
▸ TAAR1 Q96RJ0 4/20 0.48
▸ SLC6A2 P23975 4/20 0.48
▸ ADRA2A P08913 3/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ HTR1A P08908 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ HTR3A P46098 1/20 0.48
▸ BACE1 P56817 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ ADORA3 P0DMS8 2/20 0.47
▸ TACR2 P21452 2/20 0.47
▸ SLC6A4 P31645 2/20 0.47
▸ SLC6A3 Q01959 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ SHBG P04278 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47

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
SCHEMBL15005593 0.80 CA2 (0.56) ESR1ESR2TAAR1SLC6A2ADRA2A
SCHEMBL2136637 0.80 SLC6A4 (0.52) TAAR1SLC6A2HTR3ASLC6A4SLC6A3
SCHEMBL22129795 0.80 TAAR1 (0.48) TAAR1KDM4EL3MBTL1KMT2AS1PR1
SCHEMBL22137305 0.80 S1PR1 (0.41) SLC6A4CYP3A4S1PR1S1PR2S1PR3
SCHEMBL895572 0.79 SLC6A2 (0.63) ESR1ESR2TAAR1SLC6A2ADRA2A
SCHEMBL980709 0.79 ESR1 (0.54) ESR1ESR2TAAR1SLC6A2ADRA2A
SCHEMBL896162 0.79 SLC6A2 (0.63) ESR1ESR2TAAR1SLC6A2ADRA2A
SCHEMBL44507 0.79 SLC6A2 (0.63) ESR1ESR2TAAR1SLC6A2ADRA2A
SCHEMBL13452965 0.79 ANPEP (0.48) TAAR1SLC6A2SLC6A4SLC6A3TP53
SCHEMBL1148969 0.79 ANPEP (0.48) TAAR1SLC6A2SLC6A4SLC6A3TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4845127-A ANTIBESITY ELI LILLY AND COMPANY (US) 1989-07-04 — — US disclosed
US-4391826-A DIETETICS ELI LILLY AND COMPANY (US) 1983-07-05 — — US disclosed
EP-0007204-B1 PHENETHANOLAMINES, THEIR FORMULATIONS, USE AND PREPARATION ELI LILLY AND COMPANY (US) 1982-11-24 — — EP disclosed
EP-0007204-A1 Phenethanolamines, their formulations, use and preparation ELI LILLY AND COMPANY (US) 1980-01-23 — — EP disclosed
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