SCHEMBL7345972

SCHEMBL7345972

C/C=C/CCCC(C)NCC(N)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.40
SOAT1 P35610 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 1/20 0.40
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
CNR1 P21554 2/20 0.38
KDM4E B2RXH2 2/20 0.37
KCNK3 O14649 1/20 0.33
THRB P10828 1/20 0.33
CNR2 P34972 1/20 0.33
BLM P54132 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 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
SCHEMBL7345976 1.00 FAAH (0.40) FAAHSOAT1ALDH1A1MAPTMEN1
SCHEMBL18945544 0.80 CNR2 (0.34) SOAT1ALDH1A1CNR1KCNK3THRB
SCHEMBL7345987 0.78 ALDH1A1 (0.41) ALDH1A1MAPTCYP3A4
SCHEMBL7340540 0.75 FAAH (0.54) FAAHSOAT1MAPTMEN1TP53
SCHEMBL7340548 0.75 FAAH (0.54) FAAHSOAT1MAPTMEN1TP53
SCHEMBL27998395 0.74 PPARG (0.36) FAAHALDH1A1CNR1KCNK3THRB
SCHEMBL3901539 0.73 FAAH (0.65) FAAHSOAT1MAPTMEN1TP53
SCHEMBL3901535 0.73 FAAH (0.65) FAAHSOAT1MAPTMEN1TP53
SCHEMBL29277561 0.73 CNR1 (0.39) FAAHSOAT1ALDH1A1MAPTMEN1
SCHEMBL7348552 0.72 ALDH1A1 (0.40) ALDH1A1CYP3A4KMT2AKDM4ETDP1

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-4639468-A Derivatives of glycinamide, their preparation and their use CONTINENTAL PHARMA INC. (BE) 1987-01-27 US disclosed