SCHEMBL10877465

SCHEMBL10877465

CCCCCOc1ccc(C(=O)Nc2ccc(OCC(O)CNCCC)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB1 P08588 8/20 0.57
▸ ADRB3 P13945 8/20 0.57
▸ ADRB2 P07550 7/20 0.57
▸ SMN1; SMN2 Q16637 3/20 0.56
▸ LMNA P02545 2/20 0.56
▸ PLA2G4B P0C869 1/20 0.56
▸ STAT3 P40763 1/20 0.56
▸ NR1H4 Q96RI1 2/20 0.54
▸ MAPT P10636 6/20 0.53
▸ KDM4E B2RXH2 3/20 0.53
▸ CA12 O43570 1/20 0.52
▸ CA1 P00915 1/20 0.52
▸ CA2 P00918 1/20 0.52
▸ CA9 Q16790 1/20 0.52
▸ TSHR P16473 2/20 0.51
▸ HSD17B10 Q99714 2/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ MCL1 Q07820 1/20 0.51
▸ HPGD P15428 1/20 0.51

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
SCHEMBL10880581 0.87 ADRB2 (0.64) ADRB1ADRB3ADRB2SMN1; SMN2LMNA
SCHEMBL10879167 0.86 ADRB2 (0.63) ADRB1ADRB3ADRB2SMN1; SMN2LMNA
SCHEMBL10879545 0.86 ADRB2 (0.63) ADRB1ADRB3ADRB2SMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL10878728 0.85 ADRB2 (0.61) ADRB1ADRB3ADRB2SMN1; SMN2LMNA
SCHEMBL10876941 0.84 ADRB2 (0.67) ADRB1ADRB3ADRB2SMN1; SMN2LMNA
SCHEMBL10877455 0.83 SMN1; SMN2 (0.62) SMN1; SMN2LMNAPLA2G4BSTAT3NR1H4
SCHEMBL11035166 0.81 PLA2G4B (0.57) SMN1; SMN2LMNAPLA2G4BSTAT3NR1H4
SCHEMBL22192246 0.81 SMN1; SMN2 (0.81) SMN1; SMN2LMNASTAT3NR1H4MAPT
SCHEMBL10877946 0.80 ADRB2 (0.67) ADRB1ADRB3ADRB2MAPTKDM4E
Hydrochloric Acid SCHEMBL10880718 0.79 TSHR (0.65) ADRB1ADRB3ADRB2MAPTKDM4E

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
EP-0100051-B1 NEW DERIVATIVES OF 1-ALKYLAMINE-(4(P-ALKYLOXY-BENZAMIDE)PHENOXY)-2-PROPANOL, HAVING BETA-SYMPATHOLYTIC ACTIVITY, THEIR SALTS, AND PRODUCTION PROCESSES THEREOF A. Menarini S.a.S. (IT) 1986-04-09 — — EP claimed
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