SCHEMBL7437776

SCHEMBL7437776

COc1ccc2c(c1)OCC(C(O)CNC1CCN(C(C(N)=O)c3c(Cl)cccc3Cl)CC1)O2

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
MCHR1 Q99705 4/20 0.36
MAPT P10636 1/20 0.35
NPC1 O15118 1/20 0.34
MTNR1A P48039 1/20 0.34
PKM P14618 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 2/20 0.34
P2RX7 Q99572 2/20 0.34
HPGD P15428 1/20 0.34
POLB P06746 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 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
SCHEMBL7446102 0.91 LMNA (0.39) LMNAMCHR1MAPTNPC1MTNR1A
SCHEMBL7434217 0.89 ADRB3 (0.38) LMNAMCHR1MAPTNPC1
SCHEMBL7434853 0.89 MTNR1A (0.40) LMNAMCHR1MAPTNPC1MTNR1A
SCHEMBL7435691 0.89 GAA (0.41) LMNAMAPTSMN1; SMN2ALDH1A1ADRA1D
SCHEMBL7431667 0.88 LMNA (0.37) LMNAMCHR1MAPTNPC1MTNR1A
SCHEMBL7428117 0.88 LMNA (0.43) LMNAMCHR1MAPTNPC1MTNR1A
SCHEMBL10992859 0.86 LMNA (0.38) LMNAMAPTNPC1MTNR1ASMN1; SMN2
SCHEMBL7440399 0.83 CA2 (0.38) LMNAMCHR1MAPTNPC1SMN1; SMN2
SCHEMBL7431674 0.83 LMNA (0.42) LMNAMAPTNPC1SMN1; SMN2ALDH1A1
SCHEMBL7437784 0.82 ALDH1A1 (0.43) LMNAMCHR1MAPTSMN1; SMN2ALDH1A1

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