SCHEMBL7843588

SCHEMBL7843588

BrCCc1c[nH]c2ccc(Cc3nc[nH]n3)cc12

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 16/20 0.50
HTR2C P28335 9/20 0.47
HTR1D P28221 4/20 0.44
HTR1B P28222 4/20 0.44
GPR84 Q9NQS5 1/20 0.40

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
SCHEMBL5752140 0.84 HTR1A (0.71) HTR1AHTR2CHTR1DHTR1B
SCHEMBL11290643 0.72 HTR1A (0.72) HTR1AHTR1DHTR1B
SCHEMBL6644029 0.71 HTR1D (0.45) HTR1AHTR1DHTR1B
SCHEMBL5796580 0.71 HTR1A (0.56) HTR1AHTR2CHTR1DHTR1B
SCHEMBL6640808 0.70 HTR2A (0.73) HTR1AHTR2CHTR1DHTR1BGPR84
SCHEMBL9456487 0.70 HTR1D (0.74) HTR1AHTR2CHTR1DHTR1B
SCHEMBL10871259 0.69 HTR2C (0.73) HTR1AHTR2CHTR1DHTR1B
SCHEMBL18932886 0.69 HTR2A (0.71) HTR1AHTR2CHTR1DHTR1B
SCHEMBL733767 0.69 MPO (0.71) HTR1AGPR84
SCHEMBL31620029 0.69 MPO (0.71) HTR1AGPR84

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1078928-A1 Pyridine derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 2001-02-28 EP disclosed