SCHEMBL10876941

SCHEMBL10876941

CCCCOc1ccc(C(=O)Nc2ccc(OCC(O)CNC(C)C)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 3/20 0.67
▸ ADRB1 P08588 3/20 0.67
▸ CYP2D6 P10635 2/20 0.67
▸ TSHR P16473 2/20 0.67
▸ ADRB3 P13945 1/20 0.67
▸ OPRK1 P41145 1/20 0.67
▸ MEN1 O00255 1/20 0.67
▸ CYP1A2 P05177 1/20 0.67
▸ ALOX15 P16050 1/20 0.67
▸ CYP2C19 P33261 1/20 0.67
▸ KMT2A Q03164 1/20 0.67
▸ LMNA P02545 3/20 0.58
▸ SMN1; SMN2 Q16637 2/20 0.58
▸ STAT3 P40763 1/20 0.58
▸ MAPT P10636 3/20 0.55
▸ KDM4E B2RXH2 2/20 0.54
▸ PTGS1 P23219 1/20 0.54
▸ SLC6A2 P23975 1/20 0.54
▸ ADRA1A P35348 2/20 0.54
▸ NR3C1 P04150 1/20 0.54

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 0.98 ADRB2 (0.64) ADRB2ADRB1CYP2D6TSHRADRB3
SCHEMBL10879545 0.97 ADRB2 (0.63) ADRB2ADRB1CYP2D6TSHRADRB3
SCHEMBL10879167 0.97 ADRB2 (0.63) ADRB2ADRB1CYP2D6TSHRADRB3
Hydrochloric Acid SCHEMBL10878728 0.96 ADRB2 (0.61) ADRB2ADRB1CYP2D6TSHRADRB3
SCHEMBL10877946 0.95 ADRB2 (0.67) ADRB2ADRB1CYP2D6TSHRADRB3
Hydrochloric Acid SCHEMBL10880718 0.94 TSHR (0.65) ADRB2ADRB1CYP2D6TSHRADRB3
SCHEMBL10877050 0.91 KMT2A (0.70) ADRB2ADRB1CYP2D6TSHRADRB3
Hydrochloric Acid SCHEMBL11040776 0.90 KMT2A (0.68) ADRB2ADRB1CYP2D6TSHRADRB3
SCHEMBL10877118 0.88 ADRB2 (0.70) ADRB2ADRB1CYP2D6TSHRADRB3
Ronactolol SCHEMBL1254628 0.88 ADRB2 (0.70) ADRB2ADRB1CYP2D6TSHRADRB3

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 3 patents. 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
US-4503075-A ADRENERGIC BLOCKING AGENTS A. MENARINI S.A.S. (IT) 1985-03-05 — — US claimed
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 disclosed
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