SCHEMBL8072907

SCHEMBL8072907

CC1=C([C@H](C)c2ccccc2)CCN(CCCc2c[nH]c3ccc(-n4cnnc4)cc23)C1

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 20/20 0.68
HTR1B P28222 20/20 0.68

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
SCHEMBL8072904 1.00 HTR1D (0.68) HTR1DHTR1B
Oxalic Acid SCHEMBL8069475 0.96 HTR1D (0.63) HTR1DHTR1B
SCHEMBL8072913 0.87 HTR1D (0.71) HTR1DHTR1B
SCHEMBL8072917 0.87 HTR1D (0.71) HTR1DHTR1B
SCHEMBL7479781 0.85 HTR1D (0.70) HTR1DHTR1B
Oxalic Acid SCHEMBL8070192 0.84 HTR1D (0.66) HTR1DHTR1B
SCHEMBL7477070 0.83 HTR1D (0.69) HTR1DHTR1B
Oxalic Acid SCHEMBL8442627 0.81 HTR1D (0.65) HTR1DHTR1B
SCHEMBL8915888 0.81 HTR1D (1.00) HTR1DHTR1B
SCHEMBL8334690 0.81 HTR1D (1.00) HTR1DHTR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6054469-A Substituted tetrahydropyridine derivatives acting on 5-HT receptors MERCK SHARP & DOHME LTD. (GB) 2000-04-25 US claimed
WO-1997018204-A1 SUBSTITUTED TETRAHYDROPYRIDINE DERIVATIVES ACTING ON 5-HT RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 1997-05-22 WO claimed
US-6054469-A Substituted tetrahydropyridine derivatives acting on 5-HT receptors MERCK SHARP & DOHME LTD. (GB) 2000-04-25 US disclosed