SCHEMBL30288455

SCHEMBL30288455

CC(C)N(CCc1c(Cl)[nH]c2ccccc12)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.48
HTR2A P28223 10/20 0.46
HTR2C P28335 10/20 0.46
DRD2 P14416 9/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
CHRNB2 P17787 1/20 0.42
CHRNA7 P36544 1/20 0.42
CHRNA4 P43681 1/20 0.42
KDM4E B2RXH2 2/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
POLB P06746 1/20 0.39
HTR1A P08908 1/20 0.39
DRD4 P21917 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39

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
SCHEMBL25298382 0.83 HTR6 (0.69) HTR6HTR2AHTR2CDRD2CYP3A4
SCHEMBL30288467 0.82 HTR6 (0.48) HTR6HTR2AHTR2CDRD2CRHBP
SCHEMBL30288465 0.80 HTR2A (0.67) HTR6HTR2AHTR2CDRD2CYP3A4
SCHEMBL24243704 0.79 HTR2A (0.69) HTR6HTR2AHTR2CDRD2CYP3A4
SCHEMBL24243756 0.77 HTR2A (0.58) HTR6HTR2AHTR2CDRD2TSHR
SCHEMBL30288463 0.76 HTR6 (0.44) HTR6HTR2AHTR2CDRD2CHRNB2
SCHEMBL30288464 0.74 MAPT (0.45) HTR6HTR2AHTR2CDRD2CHRNB2
SCHEMBL30288449 0.74 MAPT (0.45) HTR6HTR2AHTR2CDRD2CHRNB2
SCHEMBL30288451 0.74 CHRNB2 (0.46) HTR6CHRNB2CHRNA7CHRNA4KDM4E
SCHEMBL30288454 0.74 CHRNB2 (0.46) HTR6CHRNB2CHRNA7CHRNA4KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4146198-A1 NOVEL COMPOSITIONS OF MATTER AND PHARMACEUTICAL COMPOSITIONS Psilera Inc. (US) 2023-03-15 EP claimed
EP-4146198-A1 NOVEL COMPOSITIONS OF MATTER AND PHARMACEUTICAL COMPOSITIONS Psilera Inc. (US) 2023-03-15 EP disclosed