SCHEMBL26909718

SCHEMBL26909718

C=CC(=O)NCc1c(-c2ccccc2)[nH]c2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
KCNH2 Q12809 1/20 0.48
HDAC1 Q13547 1/20 0.48
ESR1 P03372 1/20 0.48
ESR2 Q92731 1/20 0.48

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
SCHEMBL5211637 0.75 ALDH1A1 (0.68)
SCHEMBL29233536 0.74 TGM2 (0.50) MTNR1AMTNR1BHDAC1
SCHEMBL10519387 0.74 P2RX7 (0.41)
SCHEMBL28283806 0.73 CNR1 (0.55) ESR1ESR2
SCHEMBL14246882 0.73 HTR2A (0.54) ESR1ESR2
SCHEMBL19889047 0.73 TGM2 (0.65) HDAC1
SCHEMBL29819735 0.73 ESR1 (0.60) MTNR1AMTNR1BESR1ESR2
SCHEMBL22769575 0.73 ESR1 (0.60) MTNR1AMTNR1BESR1ESR2
SCHEMBL40744 0.72 TGM2 (0.68)
SCHEMBL7276569 0.72 MEN1 (0.69) ESR1ESR2

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-20230391963-A1 REVERSIBLE STRESS-RESPONSIVE MATERIAL, PREPARATION METHOD, AND USE THEREOF SOUTHWEST UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2023-12-07 US claimed
US-20230391963-A1 REVERSIBLE STRESS-RESPONSIVE MATERIAL, PREPARATION METHOD, AND USE THEREOF SOUTHWEST UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2023-12-07 US disclosed
CN-114957898-B Reversible stress response material and preparation method and application thereof 西南科技大学 2023-04-25 CN disclosed
CN-114957898-A Reversible stress response material and preparation method and application thereof 西南科技大学 2022-08-30 CN disclosed