SCHEMBL30404688

SCHEMBL30404688

Cc1cn(CC(C)(C)N)c2ccc(F)cc12

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.47
ICMT O60725 4/20 0.38
HTR6 P50406 2/20 0.38
PTGDR2 Q9Y5Y4 2/20 0.36
PER2 O15055 1/20 0.36
CRY1 Q16526 1/20 0.36
CRY2 Q49AN0 1/20 0.36
HTR3A P46098 3/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL24110219 1.00 AR (0.47) ARICMTHTR6PTGDR2PER2
Fumaric Acid SCHEMBL27524957 0.89 AR (0.48) ARICMTHTR6PTGDR2HTR3A
SCHEMBL25818060 0.84 AR (0.35) ARPTGDR2KDM4E
SCHEMBL24109882 0.82 AR (0.44) ARICMTHTR6PTGDR2PER2
SCHEMBL24110221 0.82 AR (0.46) ARICMTHTR6PTGDR2PER2
SCHEMBL24824798 0.79 CYP19A1 (0.44) ARICMTHTR6KDM4EALDH1A1
SCHEMBL8959747 0.79 AR (0.44) ARICMTPTGDR2PER2CRY1
SCHEMBL9228920 0.76 HTR2C (0.56)
SCHEMBL25500049 0.75 ICMT (0.43) ARICMTHTR6PTGDR2KDM4E
SCHEMBL3222225 0.73 KDM4E (0.42) ICMTHTR6PTGDR2KDM4EALDH1A1

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
EP-4165049-A1 ISOTRYPTAMINE PSYCHOPLASTOGENS AND USES THEREOF Delix Therapeutics, Inc. (US) 2023-04-19 EP disclosed