SCHEMBL8969434

SCHEMBL8969434

Clc1ccc2c(c1Cl)CN1CCCC1=N2

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.61
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
PDE3B Q13370 2/20 0.50
PDE3A Q14432 2/20 0.50
BCHE P06276 1/20 0.50
PDE2A O00408 1/20 0.50
P2RY12 Q9H244 1/20 0.50
USP2 O75604 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
CYP3A4 P08684 1/20 0.49
HRH3 Q9Y5N1 1/20 0.38
PNMT P11086 2/20 0.36

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
SCHEMBL8969687 0.95 ACHE (0.68) ACHEMEN1KMT2APDE3BPDE3A
SCHEMBL8968737 0.94 ACHE (0.70) ACHEMEN1KMT2APDE3BPDE3A
SCHEMBL8969338 0.81 ACHE (0.89) ACHEMEN1KMT2APDE3BPDE3A
SCHEMBL8969751 0.81 ACHE (0.64) ACHEMEN1KMT2APDE3BPDE3A
SCHEMBL8968961 0.81 ACHE (0.60) ACHEMEN1KMT2APDE3BPDE3A
SCHEMBL8968764 0.80 ACHE (0.63) ACHEMEN1KMT2ABCHEUSP2
SCHEMBL8969381 0.80 ACHE (0.67) ACHEMEN1KMT2APDE3BPDE3A
SCHEMBL8968233 0.78 ACHE (0.57) ACHEMEN1KMT2ABCHEUSP2
SCHEMBL8968605 0.78 ACHE (0.56) ACHEMEN1KMT2ABCHEUSP2
SCHEMBL8969241 0.77 ACHE (0.97) ACHEMEN1KMT2APDE3BPDE3A

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
US-5486512-A LEARNING ENHANCEMENT WARNER-LAMBERT COMPANY (US) 1996-01-23 US disclosed