SCHEMBL10833132

SCHEMBL10833132

Cc1c(Cl)cccc1N=C1NCCN1C(=O)c1ccc(C#N)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ GFER P55789 1/20 0.38
▸ SLC6A7 Q99884 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ FFAR2 O15552 1/20 0.35
▸ PDK1 Q15118 1/20 0.35
▸ PDK2 Q15119 1/20 0.35
▸ PDK3 Q15120 1/20 0.35
▸ PDK4 Q16654 1/20 0.35
▸ TAS1R3 Q7RTX0 1/20 0.34
▸ TAS1R1 Q7RTX1 1/20 0.34
▸ TAS1R2 Q8TE23 1/20 0.34
▸ FASN P49327 4/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ HTR1A P08908 1/20 0.34
▸ HTR1D P28221 1/20 0.34
▸ HTR1B P28222 1/20 0.34
▸ KDM1A O60341 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
SCHEMBL10831688 0.90 SLC6A7 (0.37) GAAMAPTGFERSLC6A7ALDH1A1
SCHEMBL10832807 0.87 SLC6A7 (0.39) GAAMAPTGFERSLC6A7ALDH1A1
SCHEMBL10832370 0.87 SLC6A7 (0.39) GAAMAPTGFERSLC6A7ALDH1A1
SCHEMBL10831783 0.82 SCN5A (0.39) MAPTSLC6A7ALDH1A1PDK1PDK2
SCHEMBL10832211 0.82 SCN5A (0.39) MAPTSLC6A7ALDH1A1EPHX2
SCHEMBL10880573 0.79 POLB (0.40) GAAMAPT
SCHEMBL10832885 0.79 POLB (0.40) GAAMAPT
SCHEMBL10832363 0.78 OPRK1 (0.36) SLC6A7ALDH1A1PDK1PDK2PDK3
SCHEMBL10832711 0.78 P2RX7 (0.41) ALDH1A1PDK1PDK2PDK3PDK4
SCHEMBL10831644 0.78 SLC6A7 (0.39) GAAMAPTGFERSLC6A7ALDH1A1

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
US-4581460-A ANALGESICS CHEMIE LINZ AKTIENGESELLSCHAFT (AT) 1986-04-08 — — US disclosed
EP-0083729-B1 SUBSTITUTED 1-BENZOYL-2-PHENYLIMINO-IMIDAZOLIDINES, THEIR ACID ADDITION SALTS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CHEMIE LINZ AKTIENGESELLSCHAFT (AT) 1986-02-26 — — EP disclosed
EP-0083729-A1 Substituted 1-benzoyl-2-phenylimino-imidazolidines, their acid addition salts, process for their preparation and pharmaceutical compositions containing them CHEMIE LINZ AKTIENGESELLSCHAFT (AT) 1983-07-20 — — EP disclosed
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