SCHEMBL9845474

SCHEMBL9845474

O=C1CC(c2ccccc2)CN1Cc1cccnc1

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.74
TSHR P16473 1/20 0.74
ALDH1A1 P00352 2/20 0.65
LMNA P02545 1/20 0.54
PDE4A P27815 1/20 0.52
PDE4B Q07343 1/20 0.52
PDE4C Q08493 1/20 0.52
PDE4D Q08499 1/20 0.52
TRPV6 Q9H1D0 3/20 0.50
MAPT P10636 1/20 0.49
TP53 P04637 1/20 0.47
CHRM2 P08172 1/20 0.47
CHRM4 P08173 1/20 0.47
CHRM5 P08912 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47

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
SCHEMBL20475293 0.89 ALDH1A1 (0.58) HPGDTSHRALDH1A1PDE4APDE4B
SCHEMBL16033027 0.86 HPGD (1.00) HPGDTSHRPDE4APDE4BPDE4C
SCHEMBL24725852 0.86 ALDH1A1 (0.55) HPGDTSHRALDH1A1LMNAPDE4A
SCHEMBL24725922 0.85 ALDH1A1 (0.57) HPGDTSHRALDH1A1PDE4APDE4B
SCHEMBL28658600 0.85 HPGD (0.81) HPGDTSHRPDE4APDE4BPDE4C
SCHEMBL20475314 0.84 ALDH1A1 (0.56) HPGDTSHRALDH1A1PDE4APDE4B
SCHEMBL24725921 0.83 ALDH1A1 (0.55) HPGDTSHRALDH1A1PDE4APDE4B
SCHEMBL26791211 0.80 ALDH1A1 (0.66) HPGDTSHRALDH1A1LMNAMAPT
SCHEMBL29936877 0.79 ALDH1A1 (1.00) HPGDALDH1A1MAPT
SCHEMBL12741617 0.79 ALDH1A1 (1.00) HPGDALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0439766-A2 Process for the preparation of N-acyl-4-phenyl-pyrrolidin-2-ones having cerebroprotective activity ARZNEIMITTELWERK DRESDEN GmbH (DE) 1991-08-07 EP disclosed