SCHEMBL7428117

SCHEMBL7428117

COc1ccc2c(c1)OCC(C(O)CNC1CCN(C(C(N)=O)c3ccccc3)CC1)O2

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 5/20 0.37
TSHR P16473 3/20 0.37
HPGD P15428 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
ALOX5 P09917 2/20 0.36
MCHR1 Q99705 2/20 0.36
FFAR1 O14842 1/20 0.36
MTNR1A P48039 1/20 0.35
MAPT P10636 2/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
BACE1 P56817 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL7431674 0.92 LMNA (0.42) LMNANPC1ALDH1A1HPGDCHRM2
SCHEMBL7434217 0.91 ADRB3 (0.38) LMNANPC1MCHR1FFAR1MAPT
SCHEMBL7436565 0.89 ALDH1A1 (0.39) LMNAALDH1A1TSHRMAPTSMN1; SMN2
SCHEMBL7439458 0.89 MAPT (0.40) LMNAALDH1A1TSHRMAPTSMN1; SMN2
SCHEMBL7446102 0.89 LMNA (0.39) LMNANPC1ALDH1A1HPGDALOX5
SCHEMBL7437776 0.88 LMNA (0.38) LMNANPC1ALDH1A1HPGDMCHR1
SCHEMBL7435692 0.88 LMNA (0.37) LMNANPC1CHRM2CHRM1MCHR1
SCHEMBL7431667 0.87 LMNA (0.37) LMNANPC1ALDH1A1HPGDMCHR1
SCHEMBL7434853 0.86 MTNR1A (0.40) LMNANPC1ALDH1A1HPGDMCHR1
SCHEMBL10992545 0.86 LMNA (0.43) LMNANPC1ALDH1A1CHRM2CHRM1

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-4499100-A CARDIOUVASCULAR DISORDERS SYNTEX (U.S.A.) INC. (US) 1985-02-12 US disclosed