SCHEMBL7696791

SCHEMBL7696791

COc1ccccc1N1CCCN(C2CCC(c3c[nH]c4ccc(F)cc34)CC2)CC1

nearest known ligand 0.93

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 17/20 0.93
SLC6A4 P31645 2/20 0.59
ADRA1D P25100 1/20 0.52
ADRA1A P35348 1/20 0.52
ADRA1B P35368 1/20 0.52
HTR7 P34969 1/20 0.52
KCNH2 Q12809 1/20 0.52

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
SCHEMBL6637104 0.96 HTR1A (1.00) HTR1ASLC6A4ADRA1DADRA1AADRA1B
SCHEMBL6637107 0.96 HTR1A (1.00) HTR1ASLC6A4ADRA1DADRA1AADRA1B
SCHEMBL7523131 0.94 HTR1A (0.81) HTR1ASLC6A4ADRA1DADRA1AADRA1B
SCHEMBL7692311 0.90 HTR1A (0.75) HTR1AADRA1DADRA1AADRA1B
SCHEMBL6636012 0.89 HTR1A (0.86) HTR1ASLC6A4
SCHEMBL6635879 0.89 HTR1A (0.86) HTR1ASLC6A4
SCHEMBL6635151 0.89 HTR1A (0.86) HTR1ASLC6A4
SCHEMBL7691693 0.87 HTR1A (0.71) HTR1ASLC6A4
SCHEMBL6634611 0.86 HTR1A (0.81) HTR1AADRA1DADRA1AADRA1B
SCHEMBL6636129 0.84 HTR1A (0.78) HTR1ASLC6A4HTR7

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-6337326-B1 CENTRAL NERVOUS SYSTEM ANTIDEPRESSANTS AMERICAN HOME PRODUCTS CORPORATION 2002-01-08 US claimed
US-6337326-B1 CENTRAL NERVOUS SYSTEM ANTIDEPRESSANTS AMERICAN HOME PRODUCTS CORPORATION 2002-01-08 US disclosed