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SCHEMBL6604715

SCHEMBL6604715

COc1cc2c(cc1N1CC(C)N(C)C(C)C1)N(C(=O)Cc1cccc([N+](=O)[O-])c1)CC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HTR1B P28222 17/20 1.00
▸ HTR1D P28221 15/20 1.00
▸ HTR1A P08908 4/20 1.00
▸ GHSR Q92847 3/20 0.65
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ HTT P42858 1/20 0.46
▸ NCOA1 Q15788 1/20 0.46
▸ NCOA3 Q9Y6Q9 1/20 0.46
▸ LMNA P02545 1/20 0.45

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
SCHEMBL6604720 1.00 HTR1B (1.00) HTR1BHTR1DHTR1AGHSRSMN1; SMN2
SCHEMBL6603745 0.80 HTR1B (0.85) HTR1BHTR1DHTR1AGHSR
SCHEMBL6603741 0.80 HTR1B (0.85) HTR1BHTR1DHTR1AGHSR
SCHEMBL6604699 0.79 HTR1B (0.84) HTR1BHTR1DHTR1AGHSR
SCHEMBL6604697 0.79 HTR1B (0.84) HTR1BHTR1DHTR1AGHSR
SCHEMBL6606651 0.79 HTR1B (0.72) HTR1BHTR1DHTR1AGHSR
SCHEMBL6606654 0.79 HTR1B (0.72) HTR1BHTR1DHTR1AGHSR
SCHEMBL6603212 0.78 HTR1B (1.00) HTR1BHTR1DHTR1AGHSR
SCHEMBL6606344 0.78 HTR1B (0.81) HTR1BHTR1DHTR1AGHSR
SCHEMBL6604372 0.78 HTR1B (0.71) HTR1BHTR1DHTR1AGHSR

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