SCHEMBL20385703

SCHEMBL20385703

C=C1CC(=O)Nc2ccc(OC)cc2N1N(C)CC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.46
PDE3A Q14432 2/20 0.46
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 1/20 0.42
GLA P06280 1/20 0.42
HPGD P15428 1/20 0.42
HIF1A Q16665 1/20 0.42
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
NPC1 O15118 1/20 0.37
MAPT P10636 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CCNB2 O95067 2/20 0.35
CDK1 P06493 2/20 0.35
CCNB1 P14635 2/20 0.35
GSK3B P49841 2/20 0.35
CCNB3 Q8WWL7 2/20 0.35
EIF2AK2 P19525 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL3521937 0.73 PDE3B (0.52) PDE3BPDE3AALDH1A1KDM4EGLA
SCHEMBL1239192 0.71 PDE3B (0.56) PDE3BPDE3AALDH1A1MAOAMAOB
SCHEMBL30094448 0.68 PDE3B (0.68) PDE3BPDE3AALDH1A1MAOAMAOB
SCHEMBL153506 0.66 EIF2AK2 (0.74) PDE3BPDE3AALDH1A1MAOAMAOB
SCHEMBL31040124 0.66 PDE3B (0.66) PDE3BPDE3AALDH1A1MAOAMAOB
SCHEMBL20214 0.66 PDE3B (0.66) PDE3BPDE3AALDH1A1MAOAMAOB
SCHEMBL18329254 0.66 PDE3B (0.50) PDE3BPDE3AALDH1A1MAOAMAOB
SCHEMBL18329221 0.65 PDE3B (0.46) PDE3BPDE3AALDH1A1KDM4EGLA
SCHEMBL24221517 0.65 ALDH1A1 (0.43) PDE3BPDE3AALDH1A1KDM4EHPGD
SCHEMBL18329219 0.64 PDE3B (0.45) PDE3BPDE3AALDH1A1KDM4EGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3083569-B1 BENZODIAZEPINE DERIVATIVES, COMPOSITIONS, AND METHODS FOR TREATING COGNITIVE IMPAIRMENT AGENEBIO INC (US) 2022-01-26 EP disclosed
WO-2018130869-A1 BENZODIAZEPINE DERIVATIVES, COMPOSITIONS, AND METHODS FOR TREATING COGNITIVE IMPAIRMENT AGENEBIO, INC. (US) 2018-07-19 WO disclosed
WO-2018130868-A1 BENZODIAZEPINE DERIVATIVES, COMPOSITIONS, AND METHODS FOR TREATING COGNITIVE IMPAIRMENT AGENEBIO, INC. (US) 2018-07-19 WO disclosed