SCHEMBL7476780

SCHEMBL7476780

c1cc(CN2CCN(CCCc3c[nH]c4ccc(-n5cnnc5)cc34)CC2)ccn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 20/20 1.00
HTR1B P28222 20/20 1.00

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
SCHEMBL7474143 0.91 HTR1D (1.00) HTR1DHTR1B
SCHEMBL7475520 0.89 HTR1D (0.84) HTR1DHTR1B
SCHEMBL8807309 0.89 HTR1D (0.84) HTR1DHTR1B
SCHEMBL7476371 0.89 HTR1D (1.00) HTR1DHTR1B
SCHEMBL7478897 0.89 HTR1D (1.00) HTR1DHTR1B
SCHEMBL7479541 0.88 HTR1D (0.94) HTR1DHTR1B
SCHEMBL7484372 0.87 HTR1D (1.00) HTR1DHTR1B
SCHEMBL7472381 0.86 HTR1D (0.95) HTR1DHTR1B
SCHEMBL7474899 0.85 HTR1D (0.88) HTR1DHTR1B
SCHEMBL7475315 0.85 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 7 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-0759918-A1 PIPERAZINE, PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES OF INDOL-3-YLALKYL AS 5-HT1D-ALPHA AGONISTS MERCK SHARP & DOHME LTD. (GB) 1997-03-05 EP claimed
WO-1995032196-A1 PIPERAZINE, PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES OF INDOL-3-YLALKYL AS 5-HT1D-ALPHA AGONISTS MERCK SHARP & DOHME LIMITED (GB) 1995-11-30 WO claimed
EP-0925302-B1 PALLADIUM CATALYZED INDOLIZATION MERCK & CO INC (US) 2002-11-20 EP disclosed
US-5808064-A HYDROSILATION OF AN INDOLE AS CHEMICAL INTERMEDIATE MERCK & CO., INC. (US) 1998-09-15 US disclosed
US-5807857-A Piperazine, piperidine and tetrahydropyridine derivative of indol-3-alkyl as 5-HT1D-α agonists MERCK SHARP & DOHME LTD. (GB) 1998-09-15 US disclosed