SCHEMBL7483602

SCHEMBL7483602

OCCC(c1ccccc1)N1CCN(CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC1

nearest known ligand 0.87

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 20/20 0.87
HTR1B P28222 20/20 0.87

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
SCHEMBL7473577 0.92 HTR1D (0.73) HTR1DHTR1B
SCHEMBL7484414 0.88 HTR1D (0.81) HTR1DHTR1B
SCHEMBL7473164 0.88 HTR1D (0.75) HTR1DHTR1B
SCHEMBL7478699 0.87 HTR1D (1.00) HTR1DHTR1B
SCHEMBL7477123 0.87 HTR1D (0.80) HTR1DHTR1B
SCHEMBL7475617 0.86 HTR1D (0.81) HTR1DHTR1B
SCHEMBL8915888 0.86 HTR1D (1.00) HTR1DHTR1B
SCHEMBL8662050 0.85 HTR1D (0.78) HTR1DHTR1B
SCHEMBL8660701 0.85 HTR1D (0.78) HTR1DHTR1B
SCHEMBL7476719 0.84 HTR1D (0.84) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0925302-B1 PALLADIUM CATALYZED INDOLIZATION MERCK & CO INC (US) 2002-11-20 EP claimed
US-5808064-A HYDROSILATION OF AN INDOLE AS CHEMICAL INTERMEDIATE MERCK & CO., INC. (US) 1998-09-15 US claimed
EP-0925302-B1 PALLADIUM CATALYZED INDOLIZATION MERCK & CO INC (US) 2002-11-20 EP disclosed
US-5925638-A Substituted 1-indolylpropyl-4-benzylpiperazine derivatives MERCK SHARP & DOHME LTD. (GB) 1999-07-20 US disclosed
US-5808064-A HYDROSILATION OF AN INDOLE AS CHEMICAL INTERMEDIATE MERCK & CO., INC. (US) 1998-09-15 US disclosed
WO-1997017338-A1 SUBSTITUTED 1-INDOLYLPROPYL-4-BENZYLPIPERAZINE DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 1997-05-15 WO disclosed