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SCHEMBL6605003

SCHEMBL6605003

COc1cc2c(cc1N1CC(C)N(C)C(C)C1)N(C(=O)Nc1cccc3c(-c4cnc(C)o4)cccc13)CC2

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HTR1B P28222 19/20 0.65
▸ HTR1D P28221 18/20 0.65
▸ HTR1A P08908 6/20 0.65
▸ HTR2A P28223 1/20 0.46
▸ HTR2C P28335 1/20 0.46
▸ GHSR Q92847 1/20 0.46

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
SCHEMBL6605009 1.00 HTR1B (0.65) HTR1BHTR1DHTR1AHTR2AHTR2C
SCHEMBL6605077 0.88 HTR1B (0.68) HTR1BHTR1DHTR1AGHSR
SCHEMBL6605074 0.88 HTR1B (0.68) HTR1BHTR1DHTR1AGHSR
SCHEMBL6604668 0.85 HTR1D (0.74) HTR1BHTR1DHTR1A
SCHEMBL6604667 0.85 HTR1D (0.74) HTR1BHTR1DHTR1A
SCHEMBL6604656 0.81 HTR1D (0.78) HTR1BHTR1DHTR1A
SCHEMBL6604652 0.81 HTR1D (0.78) HTR1BHTR1DHTR1A
SCHEMBL6605824 0.79 HTR1B (1.00) HTR1BHTR1DHTR1AHTR2AHTR2C
SCHEMBL6605819 0.79 HTR1B (1.00) HTR1BHTR1DHTR1AHTR2AHTR2C
SCHEMBL6603805 0.78 HTR1B (1.00) HTR1BHTR1DHTR1AHTR2AHTR2C

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
EP-1216239-B1 PIPERAZINE DERIVATIVES AS 5-HT1B ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2004-02-11 — — EP claimed
EP-1216239-B1 PIPERAZINE DERIVATIVES AS 5-HT1B ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2004-02-11 — — EP disclosed