SCHEMBL28485017

SCHEMBL28485017

Cc1c(CO)cccc1CCc1c[nH]cn1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PDCD1 Q15116 2/20 0.39
▸ CD274 Q9NZQ7 2/20 0.39
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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
SCHEMBL31028301 1.00 PDCD1 (0.39) PDCD1CD274MEN1KMT2A
SCHEMBL31248590 0.84 SLC6A2 (0.34) MEN1KMT2A
SCHEMBL10743458 0.84 SLC6A2 (0.34) MEN1KMT2A
SCHEMBL10741610 0.78 TAAR1 (0.44) MEN1KMT2A
SCHEMBL10742575 0.76 SLC6A2 (0.33) MEN1KMT2A
SCHEMBL10736211 0.76 MEN1 (0.35) MEN1KMT2A
SCHEMBL225019 0.74 HTR1A (0.32) —
Hydrochloric Acid SCHEMBL7640657 0.74 CYP2C9 (0.32) —
SCHEMBL10740522 0.73 TAAR1 (0.41) —
SCHEMBL223967 0.72 TAAR1 (0.38) MEN1KMT2A

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
CN-105412092-B Ester prodrugs of [3- (1- (1H-imidazol-4-yl) ethyl) -2-methylphenyl ] methanol for lowering intraocular pressure 阿勒根公司 2020-11-17 — — CN disclosed
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