SCHEMBL29221981

SCHEMBL29221981

CCC1CNCCN1c1ccncc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 11/20 0.50
▸ SLC6A4 P31645 11/20 0.50
▸ SLC6A3 Q01959 11/20 0.50
▸ ADRB2 P07550 1/20 0.46
▸ NCF1 P14598 1/20 0.46
▸ PLD1 Q13393 1/20 0.46
▸ CYP2D6 P10635 8/20 0.44
▸ ROCK2 O75116 1/20 0.41
▸ ADRB1 P08588 1/20 0.41
▸ HTR2C P28335 3/20 0.40
▸ HTR2A P28223 2/20 0.40
▸ HTR2B P41595 2/20 0.40
▸ GSK3B P49841 2/20 0.38

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
SCHEMBL7149297 0.84 SLC6A2 (0.69) SLC6A2SLC6A4SLC6A3CYP2D6ADRB1
SCHEMBL38661590 0.84 SLC6A2 (0.58) SLC6A2SLC6A4SLC6A3ADRB2NCF1
SCHEMBL14663800 0.82 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3ADRB2NCF1
SCHEMBL5631907 0.81 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3CYP2D6ROCK2
SCHEMBL5631902 0.81 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3CYP2D6ROCK2
SCHEMBL5631151 0.81 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3CYP2D6ADRB1
SCHEMBL5632263 0.81 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3CYP2D6ADRB1
SCHEMBL5631142 0.81 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3CYP2D6ADRB1
SCHEMBL30309502 0.81 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3CYP2D6ROCK2
SCHEMBL5632800 0.81 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3CYP2D6ROCK2

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-117915903-A Compounds for the treatment of neurodegenerative, degenerative and metabolic disorders and uses thereof 佛罗里达大学研究基金会公司 2024-04-19 — — CN disclosed
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