SCHEMBL7277432

SCHEMBL7277432

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

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.38
EP300 Q09472 2/20 0.36
CHRM1 P11229 1/20 0.32
HTR2A P28223 1/20 0.32
MCHR1 Q99705 1/20 0.32
BCHE P06276 1/20 0.32
FNTA P49354 2/20 0.32
FNTB P49356 2/20 0.32
PGGT1B P53609 2/20 0.32

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 0.88 EP300 (0.39) ACHEEP300HTR2A
SCHEMBL7275885 0.86 EP300 (0.40) ACHEEP300HTR2A
SCHEMBL7285879 0.85 BCHE (0.33) ACHEEP300HTR2ABCHEFNTA
SCHEMBL7282764 0.79 ABCB1 (0.42) HTR2A
SCHEMBL7274156 0.79 ABCB1 (0.42) HTR2A
SCHEMBL7283159 0.79 ABCB1 (0.42) HTR2A
SCHEMBL7275535 0.79 CCR3 (0.43) HTR2A
SCHEMBL7280648 0.78 HTR1A (0.41) HTR2A
SCHEMBL7282205 0.77 ABCB1 (0.41) HTR2A
SCHEMBL7285316 0.75 ITGB3 (0.37) ACHE

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