SCHEMBL667295

SCHEMBL667295

CCCC(C#N)C(=O)OOC

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZDHHC7 Q9NXF8 1/20 0.34
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CHRM1 P11229 2/20 0.32
CHRM3 P20309 2/20 0.32
ADRA1A P35348 2/20 0.32
CHRM2 P08172 1/20 0.32
CHRNA4 P43681 1/20 0.32
HTR3A P46098 1/20 0.32
KCNH2 Q12809 1/20 0.32
AKR1A1 P14550 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HRH1 P35367 1/20 0.31
DRD3 P35462 1/20 0.31
SLC6A3 Q01959 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL28675399 0.84 ALDH1A1 (0.31) CA1CA2TSHR
SCHEMBL10526563 0.84 CA1 (0.42) ZDHHC7CA1CA2CHRM1CHRM3
SCHEMBL9183202 0.80 ALDH1A1 (0.39) CHRM1CHRM3ADRA1AAKR1A1HTR2A
SCHEMBL8601857 0.78 CHRM1 (0.32) CHRM1CHRM3ADRA1AAKR1A1HTR2A
SCHEMBL4734757 0.78 HDAC1 (0.35) CHRM1CHRM3ADRA1AAKR1A1HTR2A
SCHEMBL18671974 0.77 LMNA (0.36) CHRM1CHRM3ADRA1AAKR1A1HTR2A
SCHEMBL28015045 0.77 HDAC1 (0.34) CHRM1CHRM3ADRA1AAKR1A1HTR2A
SCHEMBL31410674 0.76 FAAH (0.39) CHRM1CHRM3ADRA1AAKR1A1HTR2A
SCHEMBL15268573 0.76 CTSK (0.44) CA1CA2CHRM1CHRM3ADRA1A
SCHEMBL18672208 0.74 ZDHHC7 (0.56) ZDHHC7CA1CA2

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
US-8324193-B2 Methods and devices for delivery of compositions to conduits FEMASYS INC. (US) 2012-12-04 US disclosed
US-20120046260-A1 Methods and Devices for Delivery of Compositions to Conduits FEMASYS INC. (US) 2012-02-23 US disclosed