SCHEMBL20794008

SCHEMBL20794008

O=CCN1CCN(c2cc(C(F)(F)F)ccc2C=O)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ HTR1A P08908 1/20 0.40
▸ ADRA1B P35368 1/20 0.39
▸ MGLL Q99685 3/20 0.37
▸ ABHD6 Q9BV23 3/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ FFAR4 Q5NUL3 4/20 0.37
▸ PLA2G7 Q13093 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ RPS6KB1 P23443 1/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ CASP4 P49662 1/20 0.36
▸ CASP5 P51878 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ CHRM2 P08172 1/20 0.35
▸ CHRM4 P08173 1/20 0.35
▸ CHRM5 P08912 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
SCHEMBL29417758 0.83 SMN1; SMN2 (0.50) LMNASMN1; SMN2MGLLABHD6CYP2D6
SCHEMBL15101008 0.83 SMN1; SMN2 (0.50) LMNASMN1; SMN2MGLLABHD6CYP2D6
SCHEMBL5738243 0.82 LMNA (0.50) LMNASMN1; SMN2HTR1ACYP2D6KMT2A
SCHEMBL19582507 0.81 SMN1; SMN2 (0.49) LMNASMN1; SMN2MGLLABHD6CYP2D6
SCHEMBL25874298 0.79 FFAR4 (0.45) LMNASMN1; SMN2CYP2D6FFAR4KMT2A
SCHEMBL15093911 0.79 LMNA (0.66) LMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL29417642 0.79 LMNA (0.47) LMNASMN1; SMN2FFAR4KMT2AKDM4E
SCHEMBL20503423 0.79 ADRB2 (0.54) LMNASMN1; SMN2HTR1AKMT2AALDH1A1
SCHEMBL18914793 0.79 LMNA (0.47) LMNASMN1; SMN2FFAR4KMT2AKDM4E
SCHEMBL20769627 0.78 ENPP2 (0.44) LMNASMN1; SMN2MGLLABHD6CYP2D6

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
WO-2019046330-A1 SPIROCYCLE COMPOUNDS AND METHODS OF MAKING AND USING SAME ABIDE THERAPEUTICS, INC. (US) 2019-03-07 — — WO disclosed
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