SCHEMBL7653075

SCHEMBL7653075

CC(C)Cc1c[nH]c2cc[c]cc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 8/20 0.45
HTR2C P28335 4/20 0.45
HTR1A P08908 3/20 0.45
HTR2B P41595 3/20 0.45
HTR1D P28221 2/20 0.45
HTR1B P28222 2/20 0.45
ADRB1 P08588 1/20 0.45
ADRA2A P08913 1/20 0.45
SLC6A2 P23975 1/20 0.45
HTR1E P28566 1/20 0.45
SLC6A4 P31645 1/20 0.45
HTR7 P34969 1/20 0.45
HTR6 P50406 1/20 0.45
SLC6A3 Q01959 1/20 0.45
KDM4E B2RXH2 1/20 0.41
APAF1 O14727 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
RECQL P46063 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL1337678 0.81 HTR1A (0.38) HTR2AHTR2CHTR1AHTR2BHTR1D
SCHEMBL3483410 0.77 MEN1 (0.41) HTR2AHTR2CHTR1AHTR2BHTR1D
SCHEMBL440951 0.77 HTR2A (0.40) HTR2AHTR2CHTR1AHTR2BHTR1D
SCHEMBL827572 0.75 HTR2A (0.74) HTR2AHTR2CHTR1AHTR2BHTR1D
SCHEMBL15515402 0.75 CSNK2A1 (0.55) HTR2AHTR2CHTR1DHTR1BSLC6A4
SCHEMBL27851522 0.75 HTR2A (0.59) HTR2AHTR2CHTR1AHTR2BHTR1D
SCHEMBL15515563 0.75 HTR2C (0.54) HTR2AHTR2CHTR1AHTR2BHTR1D
SCHEMBL9232580 0.74 HTR2A (0.62) HTR2AHTR2CHTR1AHTR2BHTR1D
SCHEMBL5814891 0.72 HTR2A (0.44) HTR2AHTR2CHTR1AHTR2BHTR1D
SCHEMBL19067627 0.71 HTR2A (0.61) HTR2AHTR2CHTR1AHTR2BHTR1D

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
US-6492394-B1 PROCOLLAGEN C-PROTEINASE INHIBITORS; TREATING FIBROTIC DISEASES SYNTEX (U.S.A.) LLC 2002-12-10 US disclosed