SCHEMBL7768375

SCHEMBL7768375

COC(=O)N(C)c1ccc(C(C[C@@H](CO)N(Cc2ccccc2)C(Oc2ccccc2)C(C)O)c2ccc(N(C)C(=O)OC)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
LMNA P02545 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
SRD5A1 P18405 1/20 0.32
PSMB5 P28074 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
MTNR1A P48039 2/20 0.32
MTNR1B P49286 2/20 0.32
CETP P11597 1/20 0.32
PTGES O14684 1/20 0.31
GPR88 Q9GZN0 1/20 0.31

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 0.82 LMNA (0.37) CNR2SMN1; SMN2LMNAPSMB5MTNR1A
SCHEMBL7768591 0.82 CNR2 (0.33) CNR2RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL7768575 0.82 MEN1 (0.35) CNR2SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL7770276 0.81 LMNA (0.35) CNR2SMN1; SMN2LMNAPSMB5MTNR1A
SCHEMBL7530250 0.70 F2 (0.35) NPC1RAB9APSMB5
SCHEMBL7768605 0.69 CHRNB2 (0.34) CNR2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7023844 0.69 CASR (0.43) CNR2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7021515 0.66 POLB (0.53) NPC1SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL7610293 0.65 RAB9A (0.46) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL7769464 0.65 CASR (0.46) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1

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