SCHEMBL7203954

SCHEMBL7203954

CN1CCC(c2cc3ccccc3[nH]2)CC1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 4/20 0.53
HRH3 Q9Y5N1 3/20 0.53
HTR2A P28223 1/20 0.48
CHRNA7 P36544 2/20 0.47
VCP P55072 5/20 0.46
HTR7 P34969 1/20 0.43
ADRA1B P35368 1/20 0.43

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
SCHEMBL73543 0.84 AOC3 (0.47) CHRNA7
SCHEMBL27367437 0.82 DRD2 (0.52) HRH4HRH3HTR2ACHRNA7HTR7
SCHEMBL15219331 0.81 HRH4 (0.55) HRH4HRH3
SCHEMBL12993141 0.81 CYP2A6 (0.44) HRH4HRH3CHRNA7HTR7ADRA1B
SCHEMBL3640169 0.81 AOC3 (0.44) HTR7ADRA1B
SCHEMBL27502681 0.81 GRIN2B (0.54) HRH4HRH3CHRNA7VCPHTR7
SCHEMBL10441226 0.80 AOC3 (0.42) HTR7ADRA1B
SCHEMBL13313599 0.79 HRH4 (0.49) HRH4HRH3HTR2ACHRNA7VCP
SCHEMBL7503773 0.79 HRH4 (0.52) HRH4
Bromide SCHEMBL7870782 0.79 HRH4 (0.50) HRH4HRH3VCP

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
US-6608079-B1 Activating serotonin-1F receptors, inhibiting neuronal protein extravasation, treating migraine ELI LILLY AND COMPANY 2003-08-19 US disclosed