SCHEMBL10716507

SCHEMBL10716507

CCN(CC)C(=O)c1ccc(NC=C(C#N)C#N)nc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 1/20 0.54
▸ HCAR3 P49019 9/20 0.43
▸ ALDH1A1 P00352 3/20 0.38
▸ HPGD P15428 3/20 0.38
▸ MAPT P10636 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ MLYCD O95822 2/20 0.38
▸ HCAR2 Q8TDS4 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ LRRK2 Q5S007 1/20 0.37
▸ HSP90AA1 P07900 1/20 0.37
▸ HSP90AB1 P08238 1/20 0.37
▸ KMT2A Q03164 1/20 0.37

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
SCHEMBL10716730 0.78 NNMT (0.55) GRM5HCAR3MAPT
SCHEMBL10729011 0.76 L3MBTL1 (0.50) GRM5HCAR3ALDH1A1HPGDMAPT
SCHEMBL27539513 0.76 HCAR3 (0.66) GRM5HCAR3ALDH1A1HPGDMAPT
SCHEMBL2961669 0.74 GRM5 (0.49) GRM5ALDH1A1HPGDMAPTMLYCD
Hydrochloric Acid SCHEMBL991448 0.70 GRM5 (0.77) GRM5HCAR3ALDH1A1HPGDMAPT
SCHEMBL5429605 0.70 GRM5 (0.54) GRM5ALDH1A1HPGDMAPTMLYCD
SCHEMBL998975 0.70 GRM5 (0.54) GRM5ALDH1A1HPGDMAPTMLYCD
Hydrochloric Acid SCHEMBL991511 0.69 GRM5 (0.97) GRM5HCAR3ALDH1A1HPGDMAPT
SCHEMBL10869100 0.68 ALDH1A1 (0.51) ALDH1A1HPGDMAPTLMNAKMT2A
SCHEMBL991484 0.68 GRM5 (0.59) GRM5ALDH1A1HPGDMAPTNPSR1

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-4659727-A ANTIARTHRITIC AGENTS MAY & BAKER LIMITED (GB) 1987-04-21 — — US disclosed
EP-0174832-A2 Ethene derivatives MAY & BAKER LIMITED (GB) 1986-03-19 — — EP disclosed
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