SCHEMBL16596121

SCHEMBL16596121

CC(O)c1ccccc1NCCc1ccc(N)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.41
MAOA P21397 2/20 0.41
NPC1 O15118 1/20 0.40
MTOR P42345 1/20 0.40
RAB9A P51151 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
GAA P10253 1/20 0.38
GFER P55789 1/20 0.37
GBA1 P04062 1/20 0.36
PRMT1 Q99873 1/20 0.36
ESRRG P62508 1/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
OPRK1 P41145 1/20 0.35
FCGR3B O75015 1/20 0.35
FCGR1A P12314 1/20 0.35
FCGR2A P12318 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL15994056 1.00 MAOB (0.41) MAOBMAOANPC1MTORRAB9A
Hydrochloric Acid SCHEMBL15993984 0.99 MAOB (0.42) MAOBMAOANPC1MTORRAB9A
SCHEMBL15994088 0.80 MAPT (0.51) MAOBMAOANPC1RAB9AKDM4E
SCHEMBL4650493 0.76 KDM4E (0.47) RAB9AGAAKDM4EL3MBTL1
SCHEMBL2739352 0.74 L3MBTL1 (0.48) MAOBMAOANPC1RAB9AGAA
SCHEMBL5968363 0.73 SIRT2 (0.43) NPC1RAB9ASIRT2GAAKDM4E
SCHEMBL6183976 0.73 SIRT2 (0.43) NPC1RAB9ASIRT2GAAKDM4E
SCHEMBL15994064 0.73 MAOB (0.43) MAOBMAOANPC1MTORRAB9A
SCHEMBL11152408 0.72 IDO1 (0.43) ADRB2ADRB1KDM4EL3MBTL1
Hydrochloric Acid SCHEMBL15994134 0.72 MAOB (0.44) MAOBMAOANPC1MTORRAB9A

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
WO-2015044965-A4 A PROCESS FOR PREPARATION OF MIRABEGRON AND ALPHA CRYSTALLINE FORM THEREOF MEGAFINE PHARMA (P) LTD. (IN) 2015-06-18 WO disclosed
WO-2015044965-A1 A PROCESS FOR PREPARATION OF MIRABEGRON AND ALPHA CRYSTALLINE FORM THEREOF MEGAFINE PHARMA (P) LTD. (IN) 2015-04-02 WO disclosed