SCHEMBL7446282

SCHEMBL7446282

COc1ccc2c(c1)OCC(C(O)CNC1CCNCC1)O2

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
KDM1A O60341 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
MTNR1A P48039 3/20 0.39
HTR4 Q13639 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 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
NPC1 O15118 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
SCHEMBL7436853 0.96 MTNR1A (0.43) LMNAKDM1AMAOAMAOBMTNR1A
SCHEMBL7440201 0.88 ADRB2 (0.38) MTNR1AADRB2ADRB1ADRB3SMN1; SMN2
SCHEMBL7433144 0.86 ADRB2 (0.35) LMNAKDM1AADRB2ADRB1SMN1; SMN2
SCHEMBL7440923 0.84 THRA (0.37) MTNR1AADRB2ADRB1ADRB3SMN1; SMN2
SCHEMBL7435524 0.84 CA2 (0.38) LMNAADRB2ADRB1SMN1; SMN2KMT2A
SCHEMBL7431324 0.84 CA2 (0.38) LMNAMAOBALDH1A1ADRB2ADRB1
SCHEMBL7437011 0.83 SLC6A4 (0.35) LMNAADRB2ADRB1SMN1; SMN2KMT2A
SCHEMBL7436376 0.82 ADRB2 (0.32) LMNAADRB2ADRB1SMN1; SMN2KMT2A
SCHEMBL7434496 0.82 LMNA (0.43) LMNAALDH1A1SMN1; SMN2KMT2A
SCHEMBL7437308 0.82 CA2 (0.38) LMNAKDM1AADRB2ADRB1SMN1; 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