SCHEMBL7436853

SCHEMBL7436853

COc1ccc2c(c1)OC(C(O)CNC1CCNCC1)CO2

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.43
LMNA P02545 1/20 0.41
KDM1A O60341 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
FFAR1 O14842 2/20 0.38
HTR4 Q13639 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
EPHX2 P34913 1/20 0.35
KMT2A Q03164 1/20 0.35
HPGDS O60760 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
SCHEMBL7446282 0.96 LMNA (0.41) MTNR1ALMNAKDM1AMAOAMAOB
SCHEMBL7440923 0.88 THRA (0.37) MTNR1AFFAR1SMN1; SMN2KMT2A
SCHEMBL7437308 0.86 CA2 (0.38) LMNAKDM1AFFAR1SMN1; SMN2KMT2A
SCHEMBL7440201 0.84 ADRB2 (0.38) MTNR1AFFAR1SMN1; SMN2KMT2A
SCHEMBL7440937 0.84 CA2 (0.38) FFAR1KMT2A
SCHEMBL7436376 0.82 ADRB2 (0.32) LMNASMN1; SMN2KMT2A
SCHEMBL7434496 0.82 LMNA (0.43) LMNAALDH1A1SMN1; SMN2KMT2A
SCHEMBL7433144 0.82 ADRB2 (0.35) LMNAKDM1ASMN1; SMN2KMT2A
SCHEMBL7437580 0.80 CA2 (0.35) FFAR1
SCHEMBL7431324 0.80 CA2 (0.38) LMNAMAOBFFAR1ALDH1A1SMN1; SMN2

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