SCHEMBL7977147

SCHEMBL7977147

c1nc(CCCOCCC2CCCCC2)c[nH]1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 8/20 0.38
HRH3 Q9Y5N1 7/20 0.38
CDK1 P06493 1/20 0.37
CCNB1 P14635 1/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
CCNA1 P78396 1/20 0.37
NFE2L2 Q16236 1/20 0.37
IDO1 P14902 3/20 0.36
HTR1A P08908 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
MCHR1 Q99705 1/20 0.33

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 0.94 HRH3 (0.40) HRH4HRH3CDK1CCNB1CCNA2
SCHEMBL7976777 0.93 HRH3 (0.38) HRH4HRH3CDK1CCNB1CCNA2
SCHEMBL9850899 0.86 HRH4 (0.40) HRH4HRH3
SCHEMBL7625072 0.84 GPR84 (0.42) HRH4HRH3HTR1AHTR1DHTR1B
SCHEMBL8524329 0.83 HRH4 (0.41) HRH4HRH3CDK1CCNB1CCNA2
SCHEMBL8120642 0.79 HRH4 (0.43) HRH4HRH3
SCHEMBL7976815 0.79 DRD2 (0.35) HRH4HRH3
SCHEMBL8115341 0.78 HRH4 (0.34) HRH4HRH3CDK1CCNB1CCNA2
SCHEMBL4385056 0.78 HRH3 (0.32) HRH3
SCHEMBL4386652 0.76 HRH3 (0.31) HRH3

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