SCHEMBL30739441

SCHEMBL30739441

[2H]C([2H])([2H])N(CCN1CCc2ccc(OC)cc21)C([2H])([2H])[2H]

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
PTK2B Q14289 1/20 0.49
ESR2 Q92731 1/20 0.49
DRD1 P21728 7/20 0.44
DRD5 P21918 7/20 0.44
DRD2 P14416 6/20 0.44
DRD3 P35462 6/20 0.44
DRD4 P21917 4/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
NOTUM Q6P988 1/20 0.37
BIRC2 Q13490 1/20 0.37

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
SCHEMBL24109783 0.80 KDM4E (0.60) KDM4EALDH1A1LMNAMAPTPTK2B
Ammonia Solution, Strong SCHEMBL906052 0.79 DRD1 (0.50) ALDH1A1DRD1DRD5DRD2DRD3
SCHEMBL8067706 0.79 DRD1 (0.50) ALDH1A1DRD1DRD5DRD2DRD3
SCHEMBL30739439 0.77 ALDH1A1 (0.79) KDM4EALDH1A1LMNAMAPTPTK2B
SCHEMBL12718802 0.77 HRH3 (0.51) DRD1DRD5DRD2DRD3DRD4
Hydrochloric Acid SCHEMBL7840936 0.76 DRD1 (0.47) DRD1DRD5DRD2DRD3DRD4
SCHEMBL23489361 0.74 MAPT (0.50) KDM4EMAPTDRD1DRD5DRD2
SCHEMBL21635497 0.72 HDAC1 (0.46) ESR2DRD1DRD5DRD2DRD3
SCHEMBL10092656 0.72 MEN1 (0.57) KDM4EALDH1A1LMNAMAPTDRD1
SCHEMBL24110550 0.72 HSD17B10 (0.50) KDM4EALDH1A1LMNAMAPTPTK2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4581028-A1 INDOLINE DERIVATIVES AS SEROTONERGIC AGENTS USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Mindset Pharma Inc. (CA) 2025-07-09 EP disclosed
WO-2024044847-A1 INDOLINE DERIVATIVES AS SEROTONERGIC AGENTS USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO MINDSET PHARMA INC. (CA) 2024-03-07 WO disclosed