SCHEMBL8963606

SCHEMBL8963606

Cc1ccc(-c2nc(C(O)C(C)C)c[nH]2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 1/20 0.39
DCUN1D1 Q96GG9 1/20 0.36
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
PDE10A Q9Y233 1/20 0.33
CHEK2 O96017 2/20 0.32
ALDH1A1 P00352 4/20 0.32
MAPT P10636 3/20 0.32
GAA P10253 3/20 0.32
TYMP P19971 2/20 0.32
TNKS O95271 2/20 0.32
PARP1 P09874 2/20 0.32
TNKS2 Q9H2K2 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HTT P42858 2/20 0.32
LMNA P02545 1/20 0.32
RAB9A P51151 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
NPC1 O15118 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
Hydrochloric Acid SCHEMBL8963653 0.98 NISCH (0.38) NISCHDCUN1D1NR1H2NR1H3PDE10A
Hydrochloric Acid SCHEMBL8963623 0.81 NISCH (0.39) NISCHDCUN1D1NR1H2NR1H3MAPT
Hydrochloric Acid SCHEMBL8963613 0.79 NISCH (0.40) NISCHDCUN1D1NR1H2NR1H3ALDH1A1
SCHEMBL27576726 0.72 DCUN1D1 (0.46) NISCHDCUN1D1NR1H2NR1H3CHEK2
SCHEMBL11304791 0.71 PIN1 (0.37) NISCHDCUN1D1NR1H2NR1H3ALDH1A1
SCHEMBL6647087 0.71 NISCH (0.48) NISCHDCUN1D1NR1H2NR1H3MAPT
SCHEMBL8963749 0.70 ALDH1A1 (0.44) CHEK2ALDH1A1MAPTGAATNKS
SCHEMBL28694876 0.70 NISCH (0.47) NISCHDCUN1D1NR1H2NR1H3ALDH1A1
SCHEMBL20390576 0.68 NISCH (0.46) NISCHDCUN1D1NR1H2NR1H3CHEK2
SCHEMBL7201389 0.68 NISCH (0.46) NISCHDCUN1D1NR1H2NR1H3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5514800-A CALCIUM CHANNEL BLOCKERS, CEREBRAL ISCHEMIA SYNTEX PHARMACEUTICALS, LTD. (GB) 1996-05-07 US disclosed
US-5276034-A Cardiovascular disorders, nervous system disorders, diuretics, antiischemic agents or antispasmodic agents SYNTEX PHARMACEUTICAL LTD. (GB) 1994-01-04 US disclosed
US-5252736-A Calcium channel antagonists SYNTEX PHARMACEUTICALS, LTD. (GB) 1993-10-12 US disclosed
EP-0289227-B1 SUBSTITUTED IMIDAZOLYL-ALKYL-PIPERAZINE AND -DIAZEPINE DERIVATIVES SYNTEX PHARMACEUTICALS LTD. (GB) 1992-04-08 EP disclosed
US-5091428-A Calcium channel blockers preferential for cerebral blood vessels SYNTEX PHARMACEUTICALS, LTD. (BM) 1992-02-25 US disclosed
US-5043447-A Substituted imidazolyl-alkyl-piperazine and -diazepine derivatives SYNTEX PHARMACEUTICALS, LTD. (GB) 1991-08-27 US disclosed
US-5010075-A Antiepilepic, hypotensive, antiarrhythmia, antiischemic agent SYNTEX PHARMACEUTICALS LTD. (GB) 1991-04-23 US disclosed
US-4829065-A Substituted imidazolyl-alkyl-piperazine and -diazepine derivatives SYNTEX PHARMACEUTICALS, LTD. (GB) 1989-05-09 US disclosed
EP-0289227-A1 Substituted imidazolyl-alkyl-piperazine and -diazepine derivatives SYNTEX PHARMACEUTICALS LTD. (GB) 1988-11-02 EP disclosed