SCHEMBL7275885

SCHEMBL7275885

COC(=O)C[C@@H]1C[C@@H](CNc2ccc(-c3ccc(C#N)cc3)nn2)N(CCCc2ccccc2)C1=O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 3/20 0.40
ACHE P22303 2/20 0.39
HTR1A P08908 1/20 0.35
DRD4 P21917 1/20 0.35
HTR2A P28223 1/20 0.35
HRH1 P35367 1/20 0.35
OPRM1 P35372 1/20 0.35
MAPT P10636 2/20 0.33
FAAH O00519 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL7276043 0.93 EP300 (0.39) EP300ACHEHTR1ADRD4HTR2A
SCHEMBL7276144 0.88 EP300 (0.37) EP300HTR1ADRD4HTR2AHRH1
SCHEMBL7273748 0.87 HTR1A (0.38) EP300HTR1ADRD4HTR2AHRH1
Hydrochloric Acid SCHEMBL7275045 0.87 ACHE (0.36) ACHE
SCHEMBL7277432 0.86 ACHE (0.38) EP300ACHEHTR2A
SCHEMBL7274708 0.83 CHRM4 (0.42) HTR1ADRD4HTR2AHRH1OPRM1
SCHEMBL7281268 0.82 ABCB1 (0.44) HTR1ADRD4HTR2AHRH1OPRM1
SCHEMBL7282551 0.82 ABCB1 (0.44) HTR1ADRD4HTR2AHRH1OPRM1
SCHEMBL7274151 0.82 ABCB1 (0.44) HTR1ADRD4HTR2AHRH1OPRM1
SCHEMBL7275883 0.82 EP300 (0.37) EP300HTR1ADRD4HTR2AHRH1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0528369-B1 Cyclic imino derivatives, pharmaceutical compositions containing them and process for their preparation BOEHRINGER INGELHEIM PHARMA (DE) 1999-11-24 EP disclosed
US-5455348-A Anticoagulants Thomae, Karl (DE) 1995-10-03 US disclosed
EP-0528369-A2 Cyclic imino derivatives, pharmaceutical compositions containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1993-02-24 EP disclosed