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Sugi Predict / Compounds / SCHEMBL6605819

SCHEMBL6605819

SCHEMBL6605819

COc1cc2c(cc1N1CC(C)N(C)C(C)C1)N(C(=O)Nc1cccc(Cl)c1Cl)CC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HTR1B P28222 18/20 1.00
▸ HTR1D P28221 16/20 1.00
▸ HTR1A P08908 4/20 1.00
▸ GHSR Q92847 3/20 0.56
▸ HTR2A P28223 1/20 0.49
▸ HTR2C P28335 1/20 0.49
▸ HTR2B P41595 1/20 0.49

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
SCHEMBL6605824 1.00 HTR1B (1.00) HTR1BHTR1DHTR1AGHSRHTR2A
SCHEMBL6603805 0.91 HTR1B (1.00) HTR1BHTR1DHTR1AGHSRHTR2A
SCHEMBL6603798 0.91 HTR1B (1.00) HTR1BHTR1DHTR1AGHSRHTR2A
SCHEMBL6604399 0.90 HTR1B (0.82) HTR1BHTR1DHTR1AGHSRHTR2A
SCHEMBL6604404 0.90 HTR1B (0.82) HTR1BHTR1DHTR1AGHSRHTR2A
SCHEMBL6604792 0.89 HTR1B (1.00) HTR1BHTR1DHTR1AGHSRHTR2A
SCHEMBL6604787 0.89 HTR1B (1.00) HTR1BHTR1DHTR1AGHSRHTR2A
SCHEMBL8132854 0.88 HTR1D (1.00) HTR1BHTR1DHTR1AHTR2AHTR2C
SCHEMBL6604606 0.88 HTR1B (0.78) HTR1BHTR1DHTR1AGHSRHTR2A
SCHEMBL6604602 0.88 HTR1B (0.78) HTR1BHTR1DHTR1AGHSRHTR2A

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