SCHEMBL28422762

SCHEMBL28422762

CCNCc1c(C)cccc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39
▸ HDAC3 O15379 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ CYP1A2 P05177 5/20 0.37
▸ CYP3A4 P08684 5/20 0.37
▸ CYP2C9 P11712 4/20 0.37
▸ CYP2C19 P33261 4/20 0.37
▸ CYP2D6 P10635 2/20 0.37
▸ CYP2A6 P11509 1/20 0.36
▸ TRPA1 O75762 2/20 0.36
▸ ATM Q13315 1/20 0.36
▸ CHRM2 P08172 1/20 0.35
▸ PDCD1LG2 Q9BQ51 1/20 0.35
▸ CD274 Q9NZQ7 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ ACHE P22303 1/20 0.35

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
SCHEMBL21600983 0.82 HTR1A (0.42) HDAC3HDAC1HDAC2CYP3A4CHRM2
SCHEMBL19657536 0.82 SLC6A4 (0.42) SLC6A4SLC6A3HDAC3HDAC1HDAC2
SCHEMBL21267257 0.81 CHRM2 (0.42) SLC6A2SLC6A4SLC6A3CYP1A2CYP3A4
Diethylamine SCHEMBL9157820 0.77 TRPA1 (0.46) CYP1A2CYP3A4CYP2D6CYP2A6TRPA1
SCHEMBL26690453 0.77 MEN1 (0.48) CHRM2ACHEALDH1A1KDM4EPOLB
SCHEMBL5391085 0.76 HIF1A (0.43) CYP2D6TRPA1ATMTSHRALDH1A1
SCHEMBL13970811 0.76 KDM4E (0.55) CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL19244144 0.76 GAA (0.46) SLC6A2SLC6A4SLC6A3CYP2D6TRPA1
SCHEMBL17113747 0.75 CYP3A4 (0.42) HDAC3HDAC1HDAC2HDAC6CYP1A2
SCHEMBL6659252 0.74 CHRM2 (0.62) SLC6A2SLC6A4SLC6A3CYP2D6CHRM2

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
CN-119775323-A Transition metal luminescent complexes and methods of use 香港大学 2025-04-08 — — CN claimed
CN-111269711-A Transition metal luminescent complexes and methods of use 香港大学 2020-06-12 — — CN claimed
CN-111269711-A Transition metal luminescent complexes and methods of use 香港大学 2020-06-12 — — CN disclosed
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