SCHEMBL9836698

SCHEMBL9836698

CC#CCCn1ncc2c(OCC)c(C(=O)OCC)cnc21

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PDE4B Q07343 8/20 0.48
PDE5A O76074 1/20 0.47
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
HPGD P15428 1/20 0.46
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL9836718 0.87 PDE4B (0.48) PDE4B
SCHEMBL9836753 0.84 PDE4B (0.48) MAPTSMN1; SMN2PDE4BPDE5AKDM4E
SCHEMBL2772405 0.84 PDE4B (0.65) MAPTSMN1; SMN2PDE4BPDE5AKDM4E
SCHEMBL10961214 0.83 MEN1 (0.48) MAPTSMN1; SMN2MEN1BLMPMP22
SCHEMBL4336531 0.80 MAPT (0.71) MAPTSMN1; SMN2PDE4BPDE5AKDM4E
SCHEMBL9838365 0.80 PDE4B (0.48) MAPTSMN1; SMN2PDE4BPDE5AKDM4E
SCHEMBL4341887 0.77 PDE4B (0.62) MAPTSMN1; SMN2PDE4BKMT2A
SCHEMBL8284895 0.74 PDE4B (0.49) MAPTSMN1; SMN2PDE4BPDE5AKDM4E
SCHEMBL9836742 0.74 MAPT (0.51) MAPTSMN1; SMN2PDE4BPDE5AKDM4E
SCHEMBL9836700 0.74

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-0180318-B1 AMIDE DERIVATIVES ICI AMERICAS INC. (US) 1991-11-06 EP disclosed
US-4745121-A AMINE OR CARBOXAMIDE SUBSTITUTED ICI AMERICAS INC. (US) 1988-05-17 US disclosed
EP-0180318-A1 Amide derivatives ICI AMERICAS INC. (US) 1986-05-07 EP disclosed