SCHEMBL7770276

SCHEMBL7770276

CC(O)C(Oc1ccccc1)N(Cc1ccccc1)[C@H](CO)CC(c1ccc(NC=O)cc1)c1ccc(NC=O)cc1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.35
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CNR2 P34972 1/20 0.32
NPY5R Q15761 8/20 0.32
PSMB5 P28074 1/20 0.31
FFAR1 O14842 1/20 0.31
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
NPY2R P49146 1/20 0.30
PTGES O14684 1/20 0.30
GPR88 Q9GZN0 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
SCHEMBL7769290 0.88 LMNA (0.37) LMNAHTTSMN1; SMN2CNR2NPY5R
SCHEMBL7768575 0.84 MEN1 (0.35) LMNAHTTSMN1; SMN2CNR2
SCHEMBL7768591 0.84 CNR2 (0.33) LMNAHTTSMN1; SMN2CNR2
SCHEMBL7768375 0.81 CNR2 (0.33) LMNASMN1; SMN2CNR2PSMB5MTNR1A
SCHEMBL7530250 0.71 F2 (0.35) PSMB5
SCHEMBL7605257 0.68 KMT2A (0.41) LMNAHTTSMN1; SMN2CNR2MTNR1A
SCHEMBL7610293 0.66 RAB9A (0.46) LMNAHTTSMN1; SMN2NPY5R
SCHEMBL6027885 0.66 SMN1; SMN2 (0.46) LMNAHTTSMN1; SMN2CNR2PTGES
SCHEMBL7768607 0.65 SMN1; SMN2 (0.44) LMNAHTTSMN1; SMN2NPY5R
SCHEMBL7768360 0.64 GLA (0.41) LMNAHTTSMN1; SMN2NPY5R

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