SCHEMBL8693152

SCHEMBL8693152

CC(CN1CCNCC1CCCc1c[nH]c2ccc(-n3cnnc3)cc12)c1ccc(F)cc1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 20/20 0.59
HTR1B P28222 19/20 0.59
HTR1A P08908 1/20 0.53
HTR2A P28223 1/20 0.53

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
SCHEMBL8693595 0.89 HTR1D (0.55) HTR1DHTR1BHTR1AHTR2A
SCHEMBL8662193 0.86 HTR1D (0.64) HTR1DHTR1BHTR1AHTR2A
SCHEMBL8411443 0.85 HTR1D (0.67) HTR1DHTR1BHTR1AHTR2A
SCHEMBL8695456 0.83 HTR1D (0.56) HTR1DHTR1BHTR1AHTR2A
SCHEMBL8472475 0.83 HTR1D (0.52) HTR1DHTR1BHTR1AHTR2A
SCHEMBL8470626 0.83 HTR1D (0.57) HTR1DHTR1BHTR1AHTR2A
SCHEMBL8411397 0.83 HTR1D (0.56) HTR1DHTR1BHTR2A
SCHEMBL8473418 0.82 HTR1D (0.58) HTR1DHTR1BHTR1AHTR2A
SCHEMBL8427576 0.82 HTR1D (0.69) HTR1DHTR1BHTR1AHTR2A
SCHEMBL8410888 0.82 HTR1D (0.67) HTR1DHTR1BHTR2A

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
US-5808064-A HYDROSILATION OF AN INDOLE AS CHEMICAL INTERMEDIATE MERCK & CO., INC. (US) 1998-09-15 US claimed
US-5808064-A HYDROSILATION OF AN INDOLE AS CHEMICAL INTERMEDIATE MERCK & CO., INC. (US) 1998-09-15 US disclosed