SCHEMBL7976777

SCHEMBL7976777

c1nc(CCCOCCCC2CCCC2)c[nH]1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.38
HRH4 Q9H3N8 8/20 0.38
HPGD P15428 1/20 0.34
HTR1A P08908 1/20 0.34
HTR1D P28221 1/20 0.34
HTR1B P28222 1/20 0.34
NAAA Q02083 1/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CCNA1 P78396 1/20 0.33
IDO1 P14902 1/20 0.33
EHMT2 Q96KQ7 1/20 0.32

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
SCHEMBL7971225 0.99 HRH3 (0.40) HRH3HRH4HPGDHTR1AHTR1D
SCHEMBL7977147 0.93 HRH4 (0.38) HRH3HRH4HTR1AHTR1DHTR1B
SCHEMBL9850899 0.88 HRH4 (0.40) HRH3HRH4
SCHEMBL7625072 0.85 GPR84 (0.42) HRH3HRH4HTR1AHTR1DHTR1B
SCHEMBL8524329 0.81 HRH4 (0.41) HRH3HRH4CDK1CCNB1CCNA2
SCHEMBL8120642 0.80 HRH4 (0.43) HRH3HRH4NAAA
SCHEMBL7976815 0.80 DRD2 (0.35) HRH3HRH4
SCHEMBL4384996 0.80 HRH4 (0.32) HRH3HRH4HTR1AHTR1DHTR1B
SCHEMBL7974438 0.79 NAAA (0.46) HRH3HRH4NAAA
SCHEMBL8115341 0.79 HRH4 (0.34) HRH3HRH4HTR1AHTR1DHTR1B

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-6248765-B1 ANTIINFLAMMATORY AGENTS; HYPOTENSIVE AGENTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICAL (FR) 2001-06-19 US claimed
US-6248765-B1 ANTIINFLAMMATORY AGENTS; HYPOTENSIVE AGENTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICAL (FR) 2001-06-19 US disclosed