SCHEMBL25154223

SCHEMBL25154223

CCCCn1ccc2ccc(C(C)C)cc21

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.56
RORA P35398 1/20 0.43
RORC P51449 1/20 0.43
RORB Q92753 1/20 0.43
CDK4 P11802 3/20 0.42
CCND1 P24385 3/20 0.42
HTR2C P28335 4/20 0.41
HTR2A P28223 3/20 0.41
P2RX7 Q99572 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
HTR1D P28221 1/20 0.40
CASR P41180 1/20 0.38
MTNR1A P48039 1/20 0.37
MTNR1B P49286 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
SCHEMBL78479 0.84 HTR7 (0.53) HTR7CDK4CCND1HTR2CHTR2A
SCHEMBL20614497 0.80 HTR1D (0.62) HTR7HTR2CHTR2AHTR1D
SCHEMBL26674331 0.79 HTR7 (0.53) HTR7HTR2CHTR2A
SCHEMBL4651648 0.78 KDM4E (0.53) CDK4CCND1HTR2CHTR2AMTNR1A
SCHEMBL8430623 0.78 KMO (0.59) HTR7CDK4CCND1HTR2CHTR2A
SCHEMBL8434667 0.78 HTR2C (0.56) HTR7CDK4CCND1HTR2CHTR2A
SCHEMBL19526836 0.78 HTR7 (0.57) HTR7RORARORCRORBCDK4
SCHEMBL27812843 0.78 CDK4 (0.44) CDK4CCND1HTR2CHTR2AHTR1D
SCHEMBL26674340 0.76 HTR7 (0.51) HTR7HTR2CHTR2AL3MBTL1HTR1D
SCHEMBL26053305 0.75 HTR7 (0.45) HTR7CDK4CCND1HTR2CHTR2A

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-2023064345-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF VANQUA BIO, INC. (US) 2023-04-20 WO disclosed