SCHEMBL7437126

SCHEMBL7437126

COc1cc(OC)cc(C(C(N)=O)N2CCC(NCC(O)C3COc4cc(SC)ccc4O3)CC2)c1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 9/20 0.35
POLB P06746 2/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
NPC1 O15118 1/20 0.33
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
KMT2A Q03164 2/20 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
SCHEMBL10989700 0.87 CHRM2 (0.33) MCHR1POLBLMNATP53NPC1
SCHEMBL7430526 0.84 SPHK1 (0.30)
SCHEMBL7428117 0.84 LMNA (0.43) MCHR1LMNANPC1CHRM2CHRM1
SCHEMBL7434312 0.84 MAPT (0.38) POLBLMNANPC1KMT2A
SCHEMBL7437133 0.82 ALDH1A1 (0.44) MCHR1POLBLMNATP53KMT2A
SCHEMBL7431674 0.82 LMNA (0.42) LMNANPC1CHRM2CHRM1KMT2A
SCHEMBL7446161 0.82 FFAR1 (0.34) MCHR1
SCHEMBL7434217 0.81 ADRB3 (0.38) MCHR1LMNANPC1
SCHEMBL7439160 0.80 NPC1 (0.42) LMNATP53NPC1
SCHEMBL7446102 0.80 LMNA (0.39) MCHR1LMNANPC1

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