SCHEMBL8557856

SCHEMBL8557856

C[C@@H](N[C@@]1(C#N)CCc2ccccc2C1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.35
CTSL P07711 5/20 0.35
ALDH1A1 P00352 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
GAA P10253 1/20 0.33
CTSB P07858 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
HPGD P15428 1/20 0.33
GRM7 Q14831 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
BACE1 P56817 1/20 0.33
POLB P06746 1/20 0.33
TAAR1 Q96RJ0 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
SCHEMBL9260996 1.00 PLK1 (0.35) PLK1CTSLALDH1A1L3MBTL1GAA
SCHEMBL12203627 0.79 ALDH1A1 (0.36) CTSLALDH1A1SIGMAR1SMN1; SMN2BACE1
SCHEMBL8558815 0.73 TAAR1 (0.34) ALDH1A1L3MBTL1GAASIGMAR1GRM7
SCHEMBL9180894 0.73 TAAR1 (0.34) ALDH1A1L3MBTL1GAASIGMAR1GRM7
SCHEMBL8557818 0.72 SIGMAR1 (0.40) CTSLALDH1A1GAACTSBCTSS
SCHEMBL9515959 0.69 ADRA2A (0.35) ALDH1A1SIGMAR1SMN1; SMN2BACE1
SCHEMBL5674636 0.69 OPRM1 (0.53) ALDH1A1SIGMAR1SMN1; SMN2POLB
Hydrochloric Acid SCHEMBL1394817 0.68 DPP4 (0.35) ALDH1A1GAA
SCHEMBL31066655 0.66 CTSL (0.39) CTSLCTSBCTSSCTSKGRM7
SCHEMBL20741223 0.64 ADRA2A (0.36) ALDH1A1SIGMAR1BACE1

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
EP-0635497-B1 Benzospiroalkene derivatives, process for their preparation and pharmaceutical compostions containing them ADIR (FR) 1998-05-20 EP disclosed
EP-0635497-A2 Benzospiroalkene derivatives, process for their preparation and pharmaceutical compostions containing them ADIR ET COMPAGNIE (FR) 1995-01-25 EP disclosed