SCHEMBL29605342

SCHEMBL29605342

CCCN(CCC)C1Cc2ccc(N3CCCC3)cc2C1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DRD3 P35462 9/20 0.55
▸ FYN P06241 1/20 0.53
▸ HTR1A P08908 3/20 0.52
▸ CYP2D6 P10635 2/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ DRD2 P14416 8/20 0.47
▸ DRD4 P21917 2/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ ADRB2 P07550 1/20 0.47
▸ CASP1 P29466 1/20 0.47
▸ LMNA P02545 2/20 0.46
▸ MAPT P10636 1/20 0.46

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
SCHEMBL8689700 1.00 DRD3 (0.55) DRD3FYNHTR1ACYP2D6ALDH1A1
SCHEMBL8689191 0.75 DRD3 (0.66) DRD3FYNHTR1ACYP2D6ALDH1A1
SCHEMBL8689506 0.74 DRD2 (0.47) DRD3HTR1AALDH1A1ALOX15MAPK1
SCHEMBL29606214 0.74 DRD2 (0.47) DRD3HTR1AALDH1A1ALOX15MAPK1
SCHEMBL8689229 0.74 DRD3 (0.64) DRD3FYNHTR1ACYP2D6ALDH1A1
SCHEMBL7854718 0.74 DRD3 (0.64) DRD3FYNHTR1ACYP2D6ALDH1A1
SCHEMBL8689268 0.74 DRD3 (0.64) DRD3FYNHTR1ACYP2D6ALDH1A1
SCHEMBL7449385 0.74 DRD3 (0.78) DRD3FYNHTR1ACYP2D6ALDH1A1
SCHEMBL7861296 0.74 DRD3 (0.64) DRD3FYNHTR1ACYP2D6ALDH1A1
SCHEMBL6560127 0.74 DRD3 (0.64) DRD3FYNHTR1ACYP2D6ALDH1A1

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-112500301-B Regulator for longitudinal behavior 以西结·戈兰 2024-02-13 — — CN disclosed
CN-114903134-A Alcoholic beverage substitute 以西结·戈兰 2022-08-16 — — CN disclosed
CN-114403335-A Alcoholic beverage substitute 以西结·戈兰 2022-04-29 — — CN disclosed
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