SCHEMBL21067299

SCHEMBL21067299

C#CC(O)c1ccc2c(c1)CC[C@H]2N

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
ACHE P22303 2/20 0.32

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
SCHEMBL5003615 1.00 ESR1 (0.33) ESR1ESR2ACHE
SCHEMBL333101 0.82 ESR1 (0.31) ESR1ESR2
Hydrochloric Acid SCHEMBL7337175 0.81 ACHE (0.32) ESR1ESR2ACHE
SCHEMBL8973657 0.81 ESR1 (0.30) ESR1ESR2
SCHEMBL27203887 0.76 ESR1 (0.34) ESR1ESR2ACHE
SCHEMBL10258004 0.76 CHRNB2 (0.41) ESR1ESR2ACHE
SCHEMBL10257201 0.76 CHRNB2 (0.41) ESR1ESR2ACHE
SCHEMBL31136551 0.76 ESR1 (0.34) ESR1ESR2ACHE
SCHEMBL1858912 0.76 CHRNB2 (0.41) ESR1ESR2ACHE
SCHEMBL26518 0.72 ACHE (0.36) ESR1ESR2ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11446398-B2 Regulated biocircuit systems OBSIDIAN THERAPEUTICS, INC. (US) 2022-09-20 US disclosed
US-20210254056-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION 2021-08-19 US disclosed
US-20190192691-A1 REGULATED BIOCIRCUIT SYSTEMS OBSIDIAN THERAPEUTICS, INC. 2019-06-27 US disclosed