SCHEMBL25478784

SCHEMBL25478784

CC(C)c1ccccc1C1CN(CC#N)CCN1C

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
MAPK1 P28482 1/20 0.34
HTR7 P34969 2/20 0.32
MAPT P10636 1/20 0.32
OPRM1 P35372 1/20 0.31
OPRL1 P41146 1/20 0.31
HTR1A P08908 1/20 0.31
DRD2 P14416 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL25480480 0.86 ALDH1A1 (0.32) ALDH1A1MAPK1MAPT
SCHEMBL24005472 0.84 HTR7 (0.36) ALDH1A1HTR7KMT2A
SCHEMBL25478771 0.82 HTR4 (0.33) ALDH1A1HTR7HTR1A
SCHEMBL25480336 0.82 SIGMAR1 (0.36) ALDH1A1MAPK1HTR7DRD2
SCHEMBL25492876 0.81 HTR7 (0.39) HTR7HTR1ADRD2
SCHEMBL25478772 0.81 HTR7 (0.33) ALDH1A1HTR7HTR1ADRD2MEN1
SCHEMBL24405088 0.78 ALDH1A1 (0.47) ALDH1A1DRD2KMT2A
SCHEMBL24005860 0.78 HTR2A (0.42) ALDH1A1HTR7OPRM1HTR1ADRD2
SCHEMBL25480501 0.78 LMNA (0.48) ALDH1A1MAPK1DRD2MEN1KMT2A
SCHEMBL25480680 0.78 SIGMAR1 (0.46) DRD2MEN1KMT2A

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-2023088167-A1 COMPOUNDS AS BCL-2 INHIBITORS FOCHON PHARMACEUTICALS, LTD. (CN) 2023-05-25 WO disclosed