SCHEMBL7769290

SCHEMBL7769290

CNc1ccc(C(C[C@@H](CO)N(Cc2ccccc2)C(Oc2ccccc2)C(C)O)c2ccc(NC)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.37
HTT P42858 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 1/20 0.32
CNR2 P34972 1/20 0.32
NPY5R Q15761 5/20 0.31
SLC6A4 P31645 1/20 0.31
PSMB5 P28074 1/20 0.31
FFAR1 O14842 1/20 0.31
MTNR1A P48039 1/20 0.30
MTNR1B P49286 1/20 0.30

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
SCHEMBL7770276 0.88 LMNA (0.35) LMNAHTTSMN1; SMN2CNR2NPY5R
SCHEMBL7768591 0.87 CNR2 (0.33) LMNAHTTSMN1; SMN2MAPTCNR2
SCHEMBL7768575 0.87 MEN1 (0.35) LMNAHTTSMN1; SMN2CNR2SLC6A4
SCHEMBL7768375 0.82 CNR2 (0.33) LMNASMN1; SMN2CNR2PSMB5MTNR1A
SCHEMBL7530250 0.74 F2 (0.35) SLC6A4PSMB5
SCHEMBL6027885 0.69 SMN1; SMN2 (0.46) LMNAHTTSMN1; SMN2CNR2SLC6A4
SCHEMBL7610293 0.67 RAB9A (0.46) LMNAHTTSMN1; SMN2MAPTNPY5R
SCHEMBL7609951 0.65 SMN1; SMN2 (0.36) LMNAHTTSMN1; SMN2MAPTCNR2
SCHEMBL7768607 0.65 SMN1; SMN2 (0.44) LMNAHTTSMN1; SMN2MAPTNPY5R
SCHEMBL7610980 0.65 MEN1 (0.44) LMNAHTTSMN1; SMN2MAPTSLC6A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1107944-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA 3 ADRENERGIC AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-06-20 EP disclosed
WO-2000012462-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA 3 ADRENERGIC AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-03-09 WO disclosed