SCHEMBL11548949

SCHEMBL11548949

O=C(CCCN1CCC(Cc2ccccc2)CC1)c1ccc2oc3ccc(C(=O)CCCN4CCC(Cc5ccccc5)CC4)cc3c2c1

nearest known ligand 0.72

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.55
ACHE P22303 1/20 0.54
HTR7 P34969 2/20 0.53
SLC6A2 P23975 1/20 0.53
SLC6A4 P31645 1/20 0.53
CCR3 P51677 1/20 0.53

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
Hydrochloric Acid SCHEMBL11553060 0.99 HTR7 (0.54) GRIN2BACHEHTR7
SCHEMBL9050713 0.85 CCR3 (0.66) CCR3
Hydrochloric Acid SCHEMBL9053162 0.84 CCR3 (0.65) CCR3
SCHEMBL11678538 0.83 KDM4E (0.59) GRIN2BACHESLC6A2SLC6A4CCR3
SCHEMBL11679317 0.83 GRIN2B (0.55) GRIN2BACHESLC6A2SLC6A4CCR3
SCHEMBL4499983 0.82 CYP2J2 (0.65) SLC6A2SLC6A4CCR3
SCHEMBL4512783 0.82 DRD2 (0.71) CCR3
SCHEMBL11554538 0.82 HRH3 (0.65) HTR7
Hydrochloric Acid SCHEMBL7303580 0.81 DRD2 (0.69) CCR3
SCHEMBL11677881 0.80 KDM4E (0.64) GRIN2BHTR7CCR3

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-4146624-A METHOD OF TREATING VIRUSES WITH BIS-BASIC KETONES OF DIBENZOFURAN RICHARDSON-MERRELL INC. (US) 1979-03-27 US disclosed