SCHEMBL8540441

SCHEMBL8540441

O=CC1CCN(C(=O)CCc2ccccc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.69
▸ NPC1 O15118 1/20 0.65
▸ TDP1 Q9NUW8 1/20 0.65
▸ FKBP1A P62942 1/20 0.60
▸ HPGD P15428 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ GRIN2B Q13224 1/20 0.55
▸ NAAA Q02083 1/20 0.55
▸ TSHR P16473 1/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ CHRNB2 P17787 1/20 0.54
▸ CHRNB4 P30926 1/20 0.54
▸ CHRNA3 P32297 1/20 0.54
▸ CHRNA4 P43681 1/20 0.54
▸ ME2 P23368 1/20 0.53
▸ ME1 P48163 1/20 0.53
▸ ME3 Q16798 1/20 0.53
▸ KMT2A Q03164 2/20 0.52
▸ GFER P55789 1/20 0.52
▸ MEN1 O00255 1/20 0.52

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
SCHEMBL6289171 0.84 POLB (0.77) POLBNPC1TDP1FKBP1AHPGD
SCHEMBL4704100 0.83 POLB (0.75) POLBNPC1TDP1FKBP1AHPGD
SCHEMBL24043594 0.82 POLB (0.69) POLBNPC1TDP1FKBP1AHPGD
SCHEMBL7131839 0.82 NPC1 (0.86) POLBNPC1TDP1FKBP1AHPGD
SCHEMBL1221986 0.82 POLB (1.00) POLBNPC1TDP1FKBP1AHPGD
SCHEMBL4704483 0.82 POLB (0.73) POLBNPC1TDP1FKBP1AHPGD
SCHEMBL14028152 0.82 POLB (0.73) POLBNPC1TDP1FKBP1AHPGD
Hydrochloric Acid SCHEMBL27513272 0.81 POLB (0.71) POLBNPC1TDP1FKBP1AHPGD
SCHEMBL18435561 0.81 POLB (0.71) POLBNPC1TDP1FKBP1AGRIN2B
SCHEMBL8540623 0.81 POLB (0.71) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0705258-B1 AZOLYL-CYCLIC AMINE DERIVATIVES WITH IMMUNOMODULATORY ACTIVITY KNOLL AG (DE) 1998-12-30 — — EP disclosed
US-5741800-A ANTIINFLAMMATORY AGENT, ANTIALLERGENS KNOLL AKTIENGESELLACHAFT (DE) 1998-04-21 — — US disclosed
EP-0705258-A1 AZOLYL-CYCLIC AMINE DERIVATIVES WITH IMMUNOMODULATORY ACTIVITY Knoll AG (DE) 1996-04-10 — — EP disclosed
WO-1995000507-A1 AZOLYL-CYCLIC AMINE DERIVATIVES WITH IMMUNOMODULATORY ACTIVITY KNOLL AG (DE) 1995-01-05 — — WO disclosed
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