SCHEMBL8979844

SCHEMBL8979844

NC(=O)c1cccc(-c2ccc3[nH]cc(C[C@H]4CCCN4)c3c2)c1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 17/20 0.56
HTR2A P28223 1/20 0.49
HTR1A P08908 2/20 0.48
HTR1B P28222 2/20 0.48
HTR2C P28335 2/20 0.48
HTR1F P30939 2/20 0.48
HTR1D P28221 1/20 0.48
HTR7 P34969 1/20 0.48
ICMT O60725 1/20 0.47

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
SCHEMBL8979675 0.92 HTR6 (0.55) HTR6HTR1AHTR1BHTR2CHTR1F
SCHEMBL8979713 0.87 HTR6 (0.53) HTR6HTR2AHTR1AHTR1BHTR2C
SCHEMBL8979706 0.83 HTR6 (0.58) HTR6HTR2AHTR1AHTR1BHTR2C
SCHEMBL8979737 0.79 HTR6 (0.58) HTR6HTR2AHTR1AHTR1BHTR2C
SCHEMBL7375886 0.76 HTR6 (0.67) HTR6HTR1AHTR1BHTR2CHTR1F
SCHEMBL7375881 0.76 HTR6 (0.67) HTR6HTR1AHTR1BHTR2CHTR1F
SCHEMBL8979679 0.74 HTR1B (0.53) HTR6HTR1AHTR1BHTR1D
SCHEMBL12244098 0.74 HTR6 (0.67) HTR6HTR1AHTR1BHTR2CHTR1F
SCHEMBL30877187 0.74 HTR6 (0.67) HTR6HTR2A
SCHEMBL8506642 0.74 HTR6 (0.67) HTR6HTR1AHTR1BHTR2CHTR1F

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
US-5502065-A TREATING HEADACHES PFIZER INC. (US) 1996-03-26 US disclosed
WO-1993021178-A1 INDOLE DERIVATIVES AS 5-HT1-LIKE AGONISTS PFIZER LIMITED (GB) 1993-10-28 WO disclosed