SCHEMBL31444433

SCHEMBL31444433

CC(C)(C)N1CCNC(c2ccccc2Cl)C1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 2/20 0.43
▸ ADRA1D P25100 1/20 0.34
▸ ADRA1A P35348 1/20 0.34
▸ ADRA1B P35368 1/20 0.34
▸ HTR6 P50406 2/20 0.33
▸ CCR2 P41597 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ ADRB1 P08588 1/20 0.33
▸ PDE10A Q9Y233 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
SCHEMBL30368129 0.80 GSK3B (0.48) GSK3BHTR6PDE10A
SCHEMBL13093644 0.78 PDE10A (0.40) GSK3BADRA1AHTR2BPDE10A
SCHEMBL18997546 0.77 GSK3B (0.42) GSK3B
SCHEMBL10349658 0.77 GSK3B (0.46) GSK3BCCR2
Hydrochloric Acid SCHEMBL10382897 0.75 GSK3B (0.45) GSK3BCCR2HTR2AHTR2CHTR2B
SCHEMBL27948360 0.75 GSK3B (0.44) GSK3BHTR6TP53HTR2AHTR2C
SCHEMBL19049080 0.74 GSK3B (0.44) GSK3B
SCHEMBL25224837 0.74 MAPK1 (0.46) GSK3B
SCHEMBL31449823 0.73 GSK3B (0.39) GSK3BHTR6
SCHEMBL21776340 0.73 RIPK1 (0.42) GSK3B

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-2025072451-A1 RAS-PI3K INHIBITORS FOR THE TREATMENT OF CANCER AND IMMUNOLOGICAL DISEASES VIVIDION THERAPEUTICS, INC. (US) 2025-04-03 — — WO disclosed
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