SCHEMBL7434853

SCHEMBL7434853

COc1ccc2c(c1)OC(C(O)CNC1CCN(C(C(N)=O)c3c(C)cccc3C)CC1)CO2

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.40
LMNA P02545 2/20 0.38
MCHR1 Q99705 4/20 0.38
MAPT P10636 2/20 0.36
FFAR1 O14842 4/20 0.36
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
NPC1 O15118 1/20 0.34
GAA P10253 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL7446102 0.98 LMNA (0.39) MTNR1ALMNAMCHR1MAPTFFAR1
SCHEMBL7431667 0.91 LMNA (0.37) MTNR1ALMNAMCHR1MAPTFFAR1
SCHEMBL7439952 0.90 CA2 (0.38) LMNAMCHR1MAPTFFAR1GAA
SCHEMBL7437169 0.90 LMNA (0.31) LMNAMAPTFFAR1
SCHEMBL7437776 0.89 LMNA (0.38) MTNR1ALMNAMCHR1MAPTADRA1D
SCHEMBL7429561 0.89 CA2 (0.37) MCHR1FFAR1ADRA1DADRA1AADRA1B
SCHEMBL7436658 0.89 LMNA (0.39) MTNR1ALMNAMAPTGAAALDH1A1
SCHEMBL7434579 0.88 CA2 (0.35) LMNAMAPTNPC1GAAALDH1A1
Hydrochloric Acid SCHEMBL7444380 0.88 LMNA (0.39) MTNR1ALMNAMAPTALDH1A1
SCHEMBL7428117 0.86 LMNA (0.43) MTNR1ALMNAMCHR1MAPTFFAR1

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