SCHEMBL5113470

SCHEMBL5113470

COc1ccc2c(cc3n2Cc2ccccc2-3)c1C1CCN(C)C1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.43
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR1E P28566 1/20 0.43
HTR7 P34969 1/20 0.43
HTR2B P41595 1/20 0.43
HTR3A P46098 1/20 0.43
HTR5A P47898 1/20 0.43
HTR6 P50406 1/20 0.40
CCNT1 O60563 2/20 0.38
CDK9 P50750 2/20 0.38
QDPR P09417 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ATM Q13315 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
SCHEMBL5113466 1.00 HTR1A (0.43) HTR1AHTR1DHTR1BHTR2AHTR2C
SCHEMBL4047654 0.80 MTNR1A (0.51) HTR1AHTR1DHTR1BHTR2AHTR2C
SCHEMBL4047650 0.80 MTNR1A (0.51) HTR1AHTR1DHTR1BHTR2AHTR2C
SCHEMBL4049338 0.80 MTNR1A (0.51) HTR1AHTR1DHTR1BHTR2AHTR2C
SCHEMBL14177908 0.74 MTNR1A (0.42) HTR6KDM4EATM
SCHEMBL14177909 0.68 MTNR1A (0.39) HTR2AHTR2CHTR6CCNT1CDK9
SCHEMBL2271779 0.64 HTR1A (0.63) HTR1AHTR1DHTR1BHTR2AHTR2C
SCHEMBL4049451 0.64 HTR6 (0.53) HTR1AHTR1DHTR1BHTR2AHTR2C
SCHEMBL3324374 0.64 HTR6 (0.53) HTR1AHTR1DHTR1BHTR2AHTR2C
SCHEMBL4058308 0.64 HTR6 (0.53) HTR1AHTR1DHTR1BHTR2AHTR2C

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-7388024-B2 Indeno[2,1A]indenes and isoindolo[2,1-A]indoles SUVEN LIFE SCIENCES LIMITED (IN) 2008-06-17 US claimed