SCHEMBL8199533

SCHEMBL8199533

NC(=O)C(c1ccccc1)(c1ccccc1)C1CCC(NCCCc2cccc(Cl)c2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 7/20 0.43
PLAAT3 P53816 2/20 0.42
PLAAT5 Q96KN8 2/20 0.42
PLAAT2 Q9NWW9 2/20 0.42
PLAAT4 Q9UL19 2/20 0.42
CHRM2 P08172 1/20 0.42
CHRM3 P20309 1/20 0.42
TAAR1 Q96RJ0 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 2/20 0.40
HPGD P15428 1/20 0.40
GLA P06280 1/20 0.40
GRM2 Q14416 1/20 0.40
GRM3 Q14832 1/20 0.40
TP53 P04637 2/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
GRIN1 Q05586 1/20 0.39

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
SCHEMBL8199243 0.90 GRIN2B (0.46) GRIN2BTAAR1GRIN1
SCHEMBL8199090 0.89 GRIN2B (0.43) GRIN2BPLAAT3PLAAT5PLAAT2PLAAT4
Hydrochloric Acid SCHEMBL8209834 0.88 GRIN2B (0.46) GRIN2BTAAR1GRIN1
SCHEMBL8211310 0.84 OPRM1 (0.39) GRIN2BCHRM2CHRM3GRIN1
SCHEMBL8199188 0.84 GRIN2B (0.40) GRIN2BCHRM2CHRM3TAAR1GRIN1
SCHEMBL8206272 0.83 TAAR1 (0.46) GRIN2BTAAR1SMN1; SMN2MEN1ALDH1A1
SCHEMBL8205244 0.83 TAAR1 (0.49) GRIN2BTAAR1SMN1; SMN2MEN1ALDH1A1
SCHEMBL8206280 0.83 TAAR1 (0.46) GRIN2BTAAR1SMN1; SMN2MEN1ALDH1A1
SCHEMBL8209750 0.83 TAAR1 (0.46) GRIN2BTAAR1SMN1; SMN2MEN1ALDH1A1
SCHEMBL8199053 0.83 TAAR1 (0.50) GRIN2BCHRM2CHRM3TAAR1SMN1; SMN2

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-0999205-A1 AMINOCYCLOALKANE COMPOUNDS Mitsubishi-Tokyo Pharmaceuticals, Inc. (JP) 2000-05-10 EP claimed
EP-0999205-A1 AMINOCYCLOALKANE COMPOUNDS Mitsubishi-Tokyo Pharmaceuticals, Inc. (JP) 2000-05-10 EP disclosed