SCHEMBL11568698

SCHEMBL11568698

CCC(O)CN1N=C(c2ccc(Cl)cc2)C(C)CC1=O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.40
PGR P06401 3/20 0.38
KDM4E B2RXH2 4/20 0.34
ALDH1A1 P00352 3/20 0.34
HPGD P15428 2/20 0.34
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
CACNA1B Q00975 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
SCHEMBL11529928 0.79 PDE4D (0.43) PDE4APDE4BPDE4CPDE4D
SCHEMBL11746013 0.79 PDE4D (0.43) PDE4APDE4BPDE4CPDE4D
SCHEMBL11529917 0.79 PDE4D (0.43) PDE4APDE4BPDE4CPDE4D
SCHEMBL11529915 0.79 PDE4D (0.43) PDE4APDE4BPDE4CPDE4D
SCHEMBL8300622 0.76 PGR (0.40) MAOBPGRKDM4EALDH1A1HPGD
SCHEMBL11531244 0.76 MAOB (0.41) MAOBPGRKDM4EALDH1A1HPGD
SCHEMBL20142919 0.74 PDE4B (0.35) KDM4EALDH1A1MAPTPDE4APDE4B
SCHEMBL11561098 0.74 ALDH1A1 (0.43) MAOBKDM4EALDH1A1RAB9ASMN1; SMN2
SCHEMBL11396711 0.72 PDE4B (0.39) MAOBALDH1A1HPGDMAPTPDE4A
SCHEMBL20142921 0.70 PDE4B (0.40) KDM4EALDH1A1SMN1; SMN2MAPTPDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3931176-A CNS DEPRESSANT SANDOZ INC. (US) 1976-01-06 US claimed
US-4136184-A TRANQUILIZERS, ANTICONVULSANTS, MUSCLE RELAXANTS SANDOZ, INC. (US) 1979-01-23 US disclosed
US-4055644-A CNS DEPRESSANTS SANDOZ, INC. (US) 1977-10-25 US disclosed
US-3931176-A CNS DEPRESSANT SANDOZ INC. (US) 1976-01-06 US disclosed