SCHEMBL7435692

SCHEMBL7435692

COc1ccc2c(c1)OC(C(O)CNC1CCN(C(C(N)=O)c3ccc(CC(C)C)cc3)CC1)CO2

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
MCHR1 Q99705 8/20 0.37
KCNH2 Q12809 2/20 0.37
NPC1 O15118 1/20 0.36
FFAR1 O14842 1/20 0.36
MTNR1A P48039 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
MAPT P10636 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
GFER P55789 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
SCHEMBL7439752 0.88 MAPT (0.39) LMNANPC1MAPT
SCHEMBL7428117 0.88 LMNA (0.43) LMNAMCHR1NPC1FFAR1MTNR1A
SCHEMBL10997095 0.86 FFAR1 (0.38) LMNAMCHR1NPC1FFAR1MTNR1A
SCHEMBL7431674 0.86 LMNA (0.42) LMNANPC1CHRM2CHRM1MAPT
SCHEMBL7434853 0.84 MTNR1A (0.40) LMNAMCHR1KCNH2NPC1FFAR1
SCHEMBL7434217 0.83 ADRB3 (0.38) LMNAMCHR1NPC1FFAR1MAPT
SCHEMBL7435694 0.82 ALDH1A1 (0.47) LMNA
SCHEMBL7446102 0.82 LMNA (0.39) LMNAMCHR1NPC1FFAR1MTNR1A
SCHEMBL7431667 0.82 LMNA (0.37) LMNAMCHR1KCNH2NPC1FFAR1
SCHEMBL7444042 0.81 TSHR (0.39) MCHR1KCNH2NPC1

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