SCHEMBL8334690

SCHEMBL8334690

CC(CN1CCN(CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC1)c1ccccc1

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
SCHEMBL7477312 0.91 HTR1D (0.83) HTR1DHTR1B
SCHEMBL8332389 0.89 HTR1D (0.81) HTR1DHTR1B
SCHEMBL8915888 0.89 HTR1D (1.00) HTR1DHTR1B
SCHEMBL8399430 0.88 HTR1D (0.79) HTR1DHTR1B
SCHEMBL8403541 0.88 HTR1D (0.79) HTR1DHTR1B
SCHEMBL8427610 0.88 HTR1D (0.78) HTR1DHTR1B
SCHEMBL8431783 0.88 HTR1D (0.78) HTR1DHTR1B
SCHEMBL7480569 0.88 HTR1D (0.78) HTR1DHTR1B
SCHEMBL7475617 0.87 HTR1D (0.81) HTR1DHTR1B
SCHEMBL7479900 0.87 HTR1D (0.77) 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-5981529-A Substituted indolylpropyl-piperazine derivatives as 5-HT1D α agonists MERCK SHARP & DOHME LIMITED (GB) 1999-11-09 US disclosed
EP-0854714-A1 SUBSTITUTED INDOLYLPROPYL-PIPERAZINE DERIVATIVES AS 5-HT 1DALPHA? AGONISTS MERCK SHARP & DOHME LTD. (GB) 1998-07-29 EP disclosed
WO-1997011695-A1 SUBSTITUTED INDOLYLPROPYL-PIPERAZINE DERIVATIVES AS 5-HT1DALPHA AGONISTS MERCK SHARP & DOHME LIMITED (GB) 1997-04-03 WO disclosed