SCHEMBL7446102

SCHEMBL7446102

COc1ccc2c(c1)OCC(C(O)CNC1CCN(C(C(N)=O)c3c(C)cccc3C)CC1)O2

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
MCHR1 Q99705 4/20 0.36
MTNR1A P48039 2/20 0.36
MAPT P10636 2/20 0.35
NPC1 O15118 2/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
GAA P10253 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
ALOX5 P09917 1/20 0.33
FFAR1 O14842 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
SCHEMBL7434853 0.98 MTNR1A (0.40) LMNAMCHR1MTNR1AMAPTNPC1
SCHEMBL7431667 0.94 LMNA (0.37) LMNAMCHR1MTNR1AMAPTNPC1
SCHEMBL7437776 0.91 LMNA (0.38) LMNAMCHR1MTNR1AMAPTNPC1
SCHEMBL7434579 0.90 CA2 (0.35) LMNAMAPTNPC1GAAALDH1A1
SCHEMBL7436658 0.89 LMNA (0.39) LMNAMTNR1AMAPTGAAALDH1A1
SCHEMBL7437169 0.89 LMNA (0.31) LMNAMAPTFFAR1
SCHEMBL7440399 0.89 CA2 (0.38) LMNAMCHR1MAPTNPC1ADRA1D
SCHEMBL7428117 0.89 LMNA (0.43) LMNAMCHR1MTNR1AMAPTNPC1
Hydrochloric Acid SCHEMBL7444380 0.88 LMNA (0.39) LMNAMTNR1AMAPTALDH1A1
SCHEMBL7439952 0.88 CA2 (0.38) LMNAMCHR1MAPTGAAALDH1A1

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