SCHEMBL7345987

SCHEMBL7345987

C=CCCCCC(C)NCC(N)=O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
MAPT P10636 5/20 0.41
LMNA P02545 2/20 0.40
CYP3A4 P08684 3/20 0.38
USP2 O75604 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 1/20 0.38
ABCC4 O15439 1/20 0.36
CYP2C9 P11712 1/20 0.34
DDAH1 O94760 1/20 0.33
RECQL P46063 1/20 0.33
TSHR P16473 2/20 0.32
DPP4 P27487 4/20 0.31

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
SCHEMBL8227251 0.84 MAPT (0.46) ALDH1A1MAPTLMNACYP3A4USP2
SCHEMBL8227081 0.81 ALDH1A1 (0.54) ALDH1A1MAPTLMNACYP3A4USP2
SCHEMBL7345972 0.78 FAAH (0.40) ALDH1A1MAPTCYP3A4
SCHEMBL7345976 0.78 FAAH (0.40) ALDH1A1MAPTCYP3A4
SCHEMBL7340545 0.78 TSHR (0.48) ALDH1A1MAPTLMNACYP3A4USP2
SCHEMBL3126272 0.76 TSHR (0.43) ALDH1A1MAPTLMNACYP3A4USP2
SCHEMBL3115628 0.74 ALDH1A1 (0.41) ALDH1A1MAPTLMNACYP3A4USP2
Urea SCHEMBL11092787 0.74 MAPT (0.45) ALDH1A1MAPTLMNACYP3A4USP2
SCHEMBL3111804 0.74 TSHR (0.46) ALDH1A1MAPTLMNACYP3A4USP2
SCHEMBL6542832 0.74 TSHR (0.37) ALDH1A1MAPTLMNACYP3A4SMN1; SMN2

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