SCHEMBL7416499

SCHEMBL7416499

CCCCN1CCC(COC(=O)Nc2ccccc2[N+](=O)[O-])CC1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.53
HTR4 Q13639 2/20 0.51
CHRM3 P20309 10/20 0.50
HTT P42858 1/20 0.48

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
SCHEMBL7419390 0.83 CHRM3 (0.54) HTR4CHRM3
SCHEMBL7414220 0.83 CCR3 (0.64) CCR3HTR4HTT
SCHEMBL21059235 0.79 KMT2A (0.61) HTT
SCHEMBL21059249 0.78 KMT2A (0.60) HTT
SCHEMBL5221853 0.78 MAPK1 (0.46) CCR3CHRM3HTT
SCHEMBL6581593 0.77 BCHE (0.47) CCR3CHRM3HTT
SCHEMBL21059226 0.77 KMT2A (0.58) HTT
SCHEMBL21059154 0.77 KMT2A (0.67) HTT
SCHEMBL17207034 0.76 CHRM3 (0.52) CHRM3
SCHEMBL6421183 0.76 CHRM3 (0.53) CHRM3

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
EP-0629198-A1 NITROGEN CONTAINING HETEROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICALS SMITHKLINE BEECHAM PLC (GB) 1994-12-21 EP disclosed
WO-1993018027-A1 NITROGEN CONTAINING HETEROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICALS SMITHKLINE BEECHAM PLC (GB) 1993-09-16 WO disclosed