SCHEMBL11838872

SCHEMBL11838872

O=C(CCc1ccccc1)N1CC2CCC(C1)O2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.58
▸ NPC1 O15118 1/20 0.58
▸ TDP1 Q9NUW8 1/20 0.58
▸ FKBP1A P62942 1/20 0.57
▸ HPGD P15428 1/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ ALDH1A1 P00352 2/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ NAAA Q02083 1/20 0.49
▸ ME2 P23368 1/20 0.48
▸ ME1 P48163 1/20 0.48
▸ ME3 Q16798 1/20 0.48
▸ GRIN2B Q13224 1/20 0.47
▸ CHRM3 P20309 1/20 0.47
▸ GFER P55789 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ MAPT P10636 1/20 0.47

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
SCHEMBL11828818 0.84 TSHR (0.57) POLBHPGDSMN1; SMN2ALDH1A1KMT2A
SCHEMBL8414684 0.81 NPC1 (0.65) POLBNPC1TDP1FKBP1AHPGD
SCHEMBL8411392 0.81 NPC1 (0.65) POLBNPC1TDP1FKBP1AHPGD
SCHEMBL2132589 0.78 NPC1 (0.66) POLBNPC1TDP1FKBP1AHPGD
SCHEMBL2135979 0.78 NPC1 (0.61) POLBNPC1TDP1FKBP1AHPGD
SCHEMBL7131839 0.77 NPC1 (0.86) POLBNPC1TDP1FKBP1AHPGD
SCHEMBL6289171 0.76 POLB (0.77) POLBNPC1TDP1FKBP1AHPGD
SCHEMBL12945058 0.76 POLB (0.67) POLBNPC1TDP1FKBP1AHPGD
SCHEMBL4704100 0.75 POLB (0.75) POLBNPC1TDP1FKBP1AHPGD
SCHEMBL4704483 0.74 POLB (0.73) POLBNPC1TDP1FKBP1AHPGD

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
WO-2015109451-A1 SYNTHESIS OF COMPOUNDS CONTAINING 8-OXA-3-AZABICYCLO (3.2.1)OCTANE RING RHODIA OPERATIONS (FR) 2015-07-30 — — WO disclosed
US-3953596-A 8-Oxa-3-azabicyclo(3.2.1)octane analgesic compositions and method of alleviating pain in animals ICI UNITED STATES INC. (US) 1976-04-27 — — US disclosed
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