SCHEMBL27848381

SCHEMBL27848381

O=CN1CCN(c2ccc(C3CC3)cn2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PANK3 Q9H999 2/20 0.43
▸ LCAT P04180 1/20 0.40
▸ ACACB O00763 1/20 0.39
▸ CHRNA7 P36544 1/20 0.39
▸ RET P07949 1/20 0.37
▸ KMT2A Q03164 4/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ ATM Q13315 1/20 0.37
▸ CNR2 P34972 1/20 0.35
▸ AKR1C3 P42330 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ GLA P06280 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ LMNA P02545 1/20 0.35

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
SCHEMBL27848379 0.82 PANK3 (0.54) PANK3LCATACACBKMT2AAKR1C3
SCHEMBL30932095 0.80 CHRNA7 (0.48) PANK3LCATACACBCHRNA7KMT2A
SCHEMBL12240393 0.79 CHRNA7 (0.50) PANK3LCATCHRNA7KMT2AMAPT
SCHEMBL28956353 0.76 ME2 (0.55) RETKMT2AMAPTAKR1C3NPC1
SCHEMBL29576869 0.76 ME2 (0.55) RETKMT2AMAPTAKR1C3NPC1
Cyanide SCHEMBL27694903 0.76 PANK3 (0.45) PANK3LCATACACBCHRNA7KMT2A
SCHEMBL941651 0.76 AKR1C3 (0.57) PANK3RETKMT2AMEN1MAPT
SCHEMBL2365777 0.76 DDB1 (0.49) PANK3LCATRETKMT2AKDM4E
SCHEMBL18621601 0.76 GRIN2D (0.51) PANK3RETKMT2AMEN1MAPT
Hydrochloric Acid SCHEMBL27676371 0.75 CHRNA7 (0.47) PANK3LCATACACBCHRNA7KMT2A

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
CN-102239152-B Novel amide derivative and use thereof as medicine MITSUBISHI TANABE PHARMA CORP. (JP) 2014-10-29 — — CN disclosed
CN-102239152-A Novel amide derivative and use thereof as medicine MITSUBISHI TANABE PHARMA CORP 2011-11-09 — — CN disclosed
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