SCHEMBL26645819

SCHEMBL26645819

CC(C)c1ccc2c(c1)[C@@H](CCN(C)C)CN2

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
KIF11 P52732 1/20 0.36
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL26645821 1.00 HTR1D (0.37) HTR1DHTR1BKIF11KDM4EALDH1A1
SCHEMBL26602774 0.80 TACR2 (0.38)
SCHEMBL31377482 0.80 TACR2 (0.38)
SCHEMBL26639689 0.78 HTR6 (0.46)
SCHEMBL26646007 0.78 HTR6 (0.46)
SCHEMBL7436995 0.78 HTR6 (0.46)
SCHEMBL13227634 0.77 CHRNA1 (0.38)
SCHEMBL30622634 0.76 HTR2A (0.46)
SCHEMBL14048618 0.76 HTR2A (0.46)
SCHEMBL26639714 0.76 HTR2A (0.46)

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
WO-2023201421-A1 INDOLINE DERIVATIVES AS SEROTONERGIC AGENTS USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO MINDSET PHARMA INC. (CA) 2023-10-26 WO disclosed